3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate

C151H201F2N19O10 — CID 163643568

IUPAC3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCn1c(C3CCCCC3)nc3ccccc31)C2.CCN(C(=O)CCn1c(-c2ccc(C(=O)OC)cc2)nc2ccccc21)C1CCCCC1.CCN(C(=O)CCn1c(-c2ccc(OCC(C)(F)F)cc2)nc2ccccc21)C1CCCCC1.CCN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1.CCOc1ccc(-c2nc3ccccc3n2CCC(=O)N(CC)C2CCCCC2)cn1.CN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C27H33F2N3O2.C26H31N3O3.C26H37N3O.C25H32N4O2.C24H35N3O.C23H33N3O/c1-3-31(21-9-5-4-6-10-21)25(33)17-18-32-24-12-8-7-11-23(24)30-26(32)20-13-15-22(16-14-20)34-19-27(2,28)29;1-3-28(21-9-5-4-6-10-21)24(30)17-18-29-23-12-8-7-11-22(23)27-25(29)19-13-15-20(16-14-19)26(31)32-2;1-25(2)19-13-15-26(25,3)22(17-19)28-23(30)14-16-29-21-12-8-7-11-20(21)27-24(29)18-9-5-4-6-10-18;1-3-28(20-10-6-5-7-11-20)24(30)16-17-29-22-13-9-8-12-21(22)27-25(29)19-14-15-23(26-18-19)31-4-2;1-2-26(20-13-7-4-8-14-20)23(28)17-18-27-22-16-10-9-15-21(22)25-24(27)19-11-5-3-6-12-19;1-25(19-12-6-3-7-13-19)22(27)16-17-26-21-15-9-8-14-20(21)24-23(26)18-10-4-2-5-11-18/h7-8,11-16,21H,3-6,9-10,17-19H2,1-2H3;7-8,11-16,21H,3-6,9-10,17-18H2,1-2H3;7-8,11-12,18-19,22H,4-6,9-10,13-17H2,1-3H3,(H,28,30);8-9,12-15,18,20H,3-7,10-11,16-17H2,1-2H3;9-10,15-16,19-20H,2-8,11-14,17-18H2,1H3;8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3/t;;19-,22-,26+;;;/m..1.../s1
InChIKeyIGIXYEGRDIRTOO-WZUYDBDGSA-N
MW2480.39 g/mol
LogP33.16
Rot. Bonds40

About 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate

3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate (PubChem CID 163643568) has the molecular formula C151H201F2N19O10 and a molecular weight of 2480.39 g/mol. Its IUPAC name is 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate.

Molecular Properties

Compound Name3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
PubChem CID163643568
Molecular FormulaC151H201F2N19O10
Molecular Weight2480.39 g/mol
Exact Mass2478.58
IUPAC Name3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCn1c(C3CCCCC3)nc3ccccc31)C2.CCN(C(=O)CCn1c(-c2ccc(C(=O)OC)cc2)nc2ccccc21)C1CCCCC1.CCN(C(=O)CCn1c(-c2ccc(OCC(C)(F)F)cc2)nc2ccccc21)C1CCCCC1.CCN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1.CCOc1ccc(-c2nc3ccccc3n2CCC(=O)N(CC)C2CCCCC2)cn1.CN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C27H33F2N3O2.C26H31N3O3.C26H37N3O.C25H32N4O2.C24H35N3O.C23H33N3O/c1-3-31(21-9-5-4-6-10-21)25(33)17-18-32-24-12-8-7-11-23(24)30-26(32)20-13-15-22(16-14-20)34-19-27(2,28)29;1-3-28(21-9-5-4-6-10-21)24(30)17-18-29-23-12-8-7-11-22(23)27-25(29)19-13-15-20(16-14-19)26(31)32-2;1-25(2)19-13-15-26(25,3)22(17-19)28-23(30)14-16-29-21-12-8-7-11-20(21)27-24(29)18-9-5-4-6-10-18;1-3-28(20-10-6-5-7-11-20)24(30)16-17-29-22-13-9-8-12-21(22)27-25(29)19-14-15-23(26-18-19)31-4-2;1-2-26(20-13-7-4-8-14-20)23(28)17-18-27-22-16-10-9-15-21(22)25-24(27)19-11-5-3-6-12-19;1-25(19-12-6-3-7-13-19)22(27)16-17-26-21-15-9-8-14-20(21)24-23(26)18-10-4-2-5-11-18/h7-8,11-16,21H,3-6,9-10,17-19H2,1-2H3;7-8,11-16,21H,3-6,9-10,17-18H2,1-2H3;7-8,11-12,18-19,22H,4-6,9-10,13-17H2,1-3H3,(H,28,30);8-9,12-15,18,20H,3-7,10-11,16-17H2,1-2H3;9-10,15-16,19-20H,2-8,11-14,17-18H2,1H3;8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3/t;;19-,22-,26+;;;/m..1.../s1
InChIKeyIGIXYEGRDIRTOO-WZUYDBDGSA-N
XLogP33.16
TPSA295.22 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds40
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002480.39
LogP ≤ 533.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate?
The IUPAC name of 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate (CID 163643568) is 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate.
What is the SMILES notation for 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate?
The canonical SMILES for 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCn1c(C3CCCCC3)nc3ccccc31)C2.CCN(C(=O)CCn1c(-c2ccc(C(=O)OC)cc2)nc2ccccc21)C1CCCCC1.CCN(C(=O)CCn1c(-c2ccc(OCC(C)(F)F)cc2)nc2ccccc21)C1CCCCC1.CCN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1.CCOc1ccc(-c2nc3ccccc3n2CCC(=O)N(CC)C2CCCCC2)cn1.CN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate?
The InChIKey is IGIXYEGRDIRTOO-WZUYDBDGSA-N. The full InChI is InChI=1S/C27H33F2N3O2.C26H31N3O3.C26H37N3O.C25H32N4O2.C24H35N3O.C23H33N3O/c1-3-31(21-9-5-4-6-10-21)25(33)17-18-32-24-12-8-7-11-23(24)30-26(32)20-13-15-22(16-14-20)34-19-27(2,28)29;1-3-28(21-9-5-4-6-10-21)24(30)17-18-29-23-12-8-7-11-22(23)27-25(29)19-13-15-20(16-14-19)26(31)32-2;1-25(2)19-13-15-26(25,3)22(17-19)28-23(30)14-16-29-21-12-8-7-11-20(21)27-24(29)18-9-5-4-6-10-18;1-3-28(20-10-6-5-7-11-20)24(30)16-17-29-22-13-9-8-12-21(22)27-25(29)19-14-15-23(26-18-19)31-4-2;1-2-26(20-13-7-4-8-14-20)23(28)17-18-27-22-16-10-9-15-21(22)25-24(27)19-11-5-3-6-12-19;1-25(19-12-6-3-7-13-19)22(27)16-17-26-21-15-9-8-14-20(21)24-23(26)18-10-4-2-5-11-18/h7-8,11-16,21H,3-6,9-10,17-19H2,1-2H3;7-8,11-16,21H,3-6,9-10,17-18H2,1-2H3;7-8,11-12,18-19,22H,4-6,9-10,13-17H2,1-3H3,(H,28,30);8-9,12-15,18,20H,3-7,10-11,16-17H2,1-2H3;9-10,15-16,19-20H,2-8,11-14,17-18H2,1H3;8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3/t;;19-,22-,26+;;;/m..1.../s1.
What are the key properties of 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate?
3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate has a molecular weight of 2480.39 g/mol, XLogP of 33.16, 40 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate is sourced from PubChem (CID 163643568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).