benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate

C25H30N4O2 — CID 50994379

IUPACbenzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate
SMILESO=C(Nc1cc2[nH]c(C3CCCCC3)nc2cc1N1CCCC1)OCc1ccccc1
InChIInChI=1S/C25H30N4O2/c30-25(31-17-18-9-3-1-4-10-18)28-22-15-20-21(16-23(22)29-13-7-8-14-29)27-24(26-20)19-11-5-2-6-12-19/h1,3-4,9-10,15-16,19H,2,5-8,11-14,17H2,(H,26,27)(H,28,30)
InChIKeyZGYVJIQNSGQUKA-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.96
Rot. Bonds5

About benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate

benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate (PubChem CID 50994379) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate
PubChem CID50994379
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Namebenzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate
SMILESO=C(Nc1cc2[nH]c(C3CCCCC3)nc2cc1N1CCCC1)OCc1ccccc1
InChIInChI=1S/C25H30N4O2/c30-25(31-17-18-9-3-1-4-10-18)28-22-15-20-21(16-23(22)29-13-7-8-14-29)27-24(26-20)19-11-5-2-6-12-19/h1,3-4,9-10,15-16,19H,2,5-8,11-14,17H2,(H,26,27)(H,28,30)
InChIKeyZGYVJIQNSGQUKA-UHFFFAOYSA-N
XLogP5.96
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

Butyl [2-cyclohexyl-6-(pyrrolidin-1-yl)-1H-benzimidazol-5-yl]carbamate
CID 50994378
(R)-4-{4-[3-(1H-Benzoimidazol-2-ylamino)-propylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-3-benzyloxycarbonylamino-butyric acid
CID 44291131
(S)-benzyl 1-(1H-benzo[d]imidazol-2-yl)-5-(sulfamoylamino)pentylcarbamate
CID 25217057
tert-butyl (3S,4S)-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-4-[(4-phenylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 72947373
2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 10812367
benzyl 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylate
CID 16109385
(S)-3-{4-[3-(1H-Benzoimidazol-2-ylamino)-propylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-2-benzyloxycarbonylamino-propionic acid
CID 44291580
(R)-4-{4-[5-(1H-Benzoimidazol-2-ylamino)-pentylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-3-benzyloxycarbonylamino-butyric acid
CID 44291660
(R)-4-{4-[4-(1H-Benzoimidazol-2-ylamino)-butylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-3-benzyloxycarbonylamino-butyric acid
CID 44292029
(S)-3-{4-[4-(1H-Benzoimidazol-2-ylamino)-butylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-2-benzyloxycarbonylamino-propionic acid
CID 44292030
(R)-4-{4-[2-(1H-Benzoimidazol-2-ylcarbamoyl)-ethylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-3-benzyloxycarbonylamino-butyric acid
CID 44292034
methyl 4-[(2-phenyl-1H-benzimidazol-5-yl)carbamoyl]benzoate
CID 5126832

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate?
The IUPAC name of benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate (CID 50994379) is benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate.
What is the SMILES notation for benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate?
The canonical SMILES for benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate is O=C(Nc1cc2[nH]c(C3CCCCC3)nc2cc1N1CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate?
The InChIKey is ZGYVJIQNSGQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-25(31-17-18-9-3-1-4-10-18)28-22-15-20-21(16-23(22)29-13-7-8-14-29)27-24(26-20)19-11-5-2-6-12-19/h1,3-4,9-10,15-16,19H,2,5-8,11-14,17H2,(H,26,27)(H,28,30).
What are the key properties of benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate?
benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate has a molecular weight of 418.54 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)carbamate is sourced from PubChem (CID 50994379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).