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

C32H43N3O — CID 129251297

IUPACN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(-c4ccccc4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C32H43N3O/c1-3-24-15-17-26(18-16-24)32-33-29-20-19-27(25-11-7-5-8-12-25)23-30(29)35(32)22-21-31(36)34(4-2)28-13-9-6-10-14-28/h5,7-8,11-12,19-20,23-24,26,28H,3-4,6,9-10,13-18,21-22H2,1-2H3
InChIKeyXYBPUHGWRUUTLM-UHFFFAOYSA-N
MW485.72 g/mol
LogP7.96
Rot. Bonds8

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

N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide (PubChem CID 129251297) has the molecular formula C32H43N3O and a molecular weight of 485.72 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide
PubChem CID129251297
Molecular FormulaC32H43N3O
Molecular Weight485.72 g/mol
Exact Mass485.34
IUPAC NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(-c4ccccc4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C32H43N3O/c1-3-24-15-17-26(18-16-24)32-33-29-20-19-27(25-11-7-5-8-12-25)23-30(29)35(32)22-21-31(36)34(4-2)28-13-9-6-10-14-28/h5,7-8,11-12,19-20,23-24,26,28H,3-4,6,9-10,13-18,21-22H2,1-2H3
InChIKeyXYBPUHGWRUUTLM-UHFFFAOYSA-N
XLogP7.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.72
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide (CID 129251297) is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide is CCC1CCC(c2nc3ccc(-c4ccccc4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide?
The InChIKey is XYBPUHGWRUUTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O/c1-3-24-15-17-26(18-16-24)32-33-29-20-19-27(25-11-7-5-8-12-25)23-30(29)35(32)22-21-31(36)34(4-2)28-13-9-6-10-14-28/h5,7-8,11-12,19-20,23-24,26,28H,3-4,6,9-10,13-18,21-22H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide?
N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide has a molecular weight of 485.72 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-phenylbenzimidazol-1-yl]propanamide is sourced from PubChem (CID 129251297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).