cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C21H28N4O2 — CID 94103495

IUPACcis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-14-13-16(14)20(27)22-12-11-19(26)24-21-23-17-9-5-6-10-18(17)25(21)15-7-3-2-4-8-15/h5-6,9-10,14-16H,2-4,7-8,11-13H2,1H3,(H,22,27)(H,23,24,26)/t14-,16+/m1/s1
InChIKeyVCZLHPZAHIOERD-ZBFHGGJFSA-N
MW368.48 g/mol
LogP3.64
Rot. Bonds6

About cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94103495) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94103495
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Namecis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-14-13-16(14)20(27)22-12-11-19(26)24-21-23-17-9-5-6-10-18(17)25(21)15-7-3-2-4-8-15/h5-6,9-10,14-16H,2-4,7-8,11-13H2,1H3,(H,22,27)(H,23,24,26)/t14-,16+/m1/s1
InChIKeyVCZLHPZAHIOERD-ZBFHGGJFSA-N
XLogP3.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 94103495) is cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1nc2ccccc2n1C1CCCCC1.
What is the InChIKey of cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is VCZLHPZAHIOERD-ZBFHGGJFSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-13-16(14)20(27)22-12-11-19(26)24-21-23-17-9-5-6-10-18(17)25(21)15-7-3-2-4-8-15/h5-6,9-10,14-16H,2-4,7-8,11-13H2,1H3,(H,22,27)(H,23,24,26)/t14-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94103495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).