4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride

C151H189Cl3F12N22O17 — CID 158603991

IUPAC4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride
SMILESC.Cc1[nH]c(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)nc1Cl.Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)o1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.Cl.O=C(Nc1ccc(CCN2CCOCC2)cc1C1=CCCCC1)c1nc2ccccc2[nH]1.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F
InChIInChI=1S/C26H30N4O2.C24H30N2O3.C23H29ClN4O2.3C23H30N4O2.4C2HF3O.CH4.2ClH/c31-26(25-27-23-8-4-5-9-24(23)28-25)29-22-11-10-19(12-13-30-14-16-32-17-15-30)18-21(22)20-6-2-1-3-7-20;1-18-7-10-23(29-18)24(27)25-22-9-8-19(11-12-26-13-15-28-16-14-26)17-21(22)20-5-3-2-4-6-20;1-16-21(24)27-22(25-16)23(29)26-20-8-7-17(9-10-28-11-13-30-14-12-28)15-19(20)18-5-3-2-4-6-18;3*1-17-16-24-22(25-17)23(28)26-21-8-7-18(9-10-27-11-13-29-14-12-27)15-20(21)19-5-3-2-4-6-19;4*3-2(4,5)1-6;;;/h4-6,8-11,18H,1-3,7,12-17H2,(H,27,28)(H,29,31);5,7-10,17H,2-4,6,11-16H2,1H3,(H,25,27);5,7-8,15H,2-4,6,9-14H2,1H3,(H,25,27)(H,26,29);3*5,7-8,15-16H,2-4,6,9-14H2,1H3,(H,24,25)(H,26,28);4*1H;1H4;2*1H
InChIKeyNIPOMCZPPITLMR-UHFFFAOYSA-N
MW2918.64 g/mol
LogP29.65
Rot. Bonds36

About 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride

4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride (PubChem CID 158603991) has the molecular formula C151H189Cl3F12N22O17 and a molecular weight of 2918.64 g/mol. Its IUPAC name is 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride
PubChem CID158603991
Molecular FormulaC151H189Cl3F12N22O17
Molecular Weight2918.64 g/mol
Exact Mass2915.35
IUPAC Name4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride
SMILESC.Cc1[nH]c(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)nc1Cl.Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)o1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.Cl.O=C(Nc1ccc(CCN2CCOCC2)cc1C1=CCCCC1)c1nc2ccccc2[nH]1.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F
InChIInChI=1S/C26H30N4O2.C24H30N2O3.C23H29ClN4O2.3C23H30N4O2.4C2HF3O.CH4.2ClH/c31-26(25-27-23-8-4-5-9-24(23)28-25)29-22-11-10-19(12-13-30-14-16-32-17-15-30)18-21(22)20-6-2-1-3-7-20;1-18-7-10-23(29-18)24(27)25-22-9-8-19(11-12-26-13-15-28-16-14-26)17-21(22)20-5-3-2-4-6-20;1-16-21(24)27-22(25-16)23(29)26-20-8-7-17(9-10-28-11-13-30-14-12-28)15-19(20)18-5-3-2-4-6-18;3*1-17-16-24-22(25-17)23(28)26-21-8-7-18(9-10-27-11-13-29-14-12-27)15-20(21)19-5-3-2-4-6-19;4*3-2(4,5)1-6;;;/h4-6,8-11,18H,1-3,7,12-17H2,(H,27,28)(H,29,31);5,7-10,17H,2-4,6,11-16H2,1H3,(H,25,27);5,7-8,15H,2-4,6,9-14H2,1H3,(H,25,27)(H,26,29);3*5,7-8,15-16H,2-4,6,9-14H2,1H3,(H,24,25)(H,26,28);4*1H;1H4;2*1H
InChIKeyNIPOMCZPPITLMR-UHFFFAOYSA-N
XLogP29.65
TPSA474.24 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002918.64
LogP ≤ 529.65
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride?
The IUPAC name of 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride (CID 158603991) is 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride.
What is the SMILES notation for 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride?
The canonical SMILES for 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride is C.Cc1[nH]c(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)nc1Cl.Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)o1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.Cl.O=C(Nc1ccc(CCN2CCOCC2)cc1C1=CCCCC1)c1nc2ccccc2[nH]1.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.
What is the InChIKey of 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride?
The InChIKey is NIPOMCZPPITLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.C24H30N2O3.C23H29ClN4O2.3C23H30N4O2.4C2HF3O.CH4.2ClH/c31-26(25-27-23-8-4-5-9-24(23)28-25)29-22-11-10-19(12-13-30-14-16-32-17-15-30)18-21(22)20-6-2-1-3-7-20;1-18-7-10-23(29-18)24(27)25-22-9-8-19(11-12-26-13-15-28-16-14-26)17-21(22)20-5-3-2-4-6-20;1-16-21(24)27-22(25-16)23(29)26-20-8-7-17(9-10-28-11-13-30-14-12-28)15-19(20)18-5-3-2-4-6-18;3*1-17-16-24-22(25-17)23(28)26-21-8-7-18(9-10-27-11-13-29-14-12-27)15-20(21)19-5-3-2-4-6-19;4*3-2(4,5)1-6;;;/h4-6,8-11,18H,1-3,7,12-17H2,(H,27,28)(H,29,31);5,7-10,17H,2-4,6,11-16H2,1H3,(H,25,27);5,7-8,15H,2-4,6,9-14H2,1H3,(H,25,27)(H,26,29);3*5,7-8,15-16H,2-4,6,9-14H2,1H3,(H,24,25)(H,26,28);4*1H;1H4;2*1H.
What are the key properties of 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride?
4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride has a molecular weight of 2918.64 g/mol, XLogP of 29.65, 36 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride is sourced from PubChem (CID 158603991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).