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

C25H31N5O — CID 71738090

IUPAC1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N1CCCC1
InChIInChI=1S/C25H31N5O/c31-25(26-17-18-9-3-1-4-10-18)29-22-15-20-21(16-23(22)30-13-7-8-14-30)28-24(27-20)19-11-5-2-6-12-19/h1,3-4,9-10,15-16,19H,2,5-8,11-14,17H2,(H,27,28)(H2,26,29,31)
InChIKeyKJPYYICHEBJETB-UHFFFAOYSA-N
MW417.56 g/mol
LogP5.53
Rot. Bonds5

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

1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea (PubChem CID 71738090) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea
PubChem CID71738090
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N1CCCC1
InChIInChI=1S/C25H31N5O/c31-25(26-17-18-9-3-1-4-10-18)29-22-15-20-21(16-23(22)30-13-7-8-14-30)28-24(27-20)19-11-5-2-6-12-19/h1,3-4,9-10,15-16,19H,2,5-8,11-14,17H2,(H,27,28)(H2,26,29,31)
InChIKeyKJPYYICHEBJETB-UHFFFAOYSA-N
XLogP5.53
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223968
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea
CID 72793846
3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 55696056
N-[3-(benzylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-4-methylbenzamide
CID 46326423
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 3223896
1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
CID 50791903
2-chloro-N-[3-[(4-fluorophenyl)methylcarbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 50783204
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea
CID 22433853

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea?
The IUPAC name of 1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea (CID 71738090) is 1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea?
The canonical SMILES for 1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea is O=C(NCc1ccccc1)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N1CCCC1.
What is the InChIKey of 1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea?
The InChIKey is KJPYYICHEBJETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c31-25(26-17-18-9-3-1-4-10-18)29-22-15-20-21(16-23(22)30-13-7-8-14-30)28-24(27-20)19-11-5-2-6-12-19/h1,3-4,9-10,15-16,19H,2,5-8,11-14,17H2,(H,27,28)(H2,26,29,31).
What are the key properties of 1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea?
1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea has a molecular weight of 417.56 g/mol, XLogP of 5.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-cyclohexyl-6-pyrrolidin-1-yl-3H-benzimidazol-5-yl)urea is sourced from PubChem (CID 71738090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).