N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide

C30H43N5O — CID 154623600

IUPACN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(-c4cnn(C)c4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C30H43N5O/c1-4-22-11-13-23(14-12-22)30-32-27-16-15-24(25-20-31-33(3)21-25)19-28(27)35(30)18-17-29(36)34(5-2)26-9-7-6-8-10-26/h15-16,19-23,26H,4-14,17-18H2,1-3H3
InChIKeyBDJCLSVOAFMDER-UHFFFAOYSA-N
MW489.71 g/mol
LogP6.69
Rot. Bonds8

About N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide

N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide (PubChem CID 154623600) has the molecular formula C30H43N5O and a molecular weight of 489.71 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide
PubChem CID154623600
Molecular FormulaC30H43N5O
Molecular Weight489.71 g/mol
Exact Mass489.35
IUPAC NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(-c4cnn(C)c4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C30H43N5O/c1-4-22-11-13-23(14-12-22)30-32-27-16-15-24(25-20-31-33(3)21-25)19-28(27)35(30)18-17-29(36)34(5-2)26-9-7-6-8-10-26/h15-16,19-23,26H,4-14,17-18H2,1-3H3
InChIKeyBDJCLSVOAFMDER-UHFFFAOYSA-N
XLogP6.69
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.71
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide (CID 154623600) is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide is CCC1CCC(c2nc3ccc(-c4cnn(C)c4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide?
The InChIKey is BDJCLSVOAFMDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O/c1-4-22-11-13-23(14-12-22)30-32-27-16-15-24(25-20-31-33(3)21-25)19-28(27)35(30)18-17-29(36)34(5-2)26-9-7-6-8-10-26/h15-16,19-23,26H,4-14,17-18H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide?
N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide has a molecular weight of 489.71 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1-methylpyrazol-4-yl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 154623600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).