1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea

C24H24N4OS — CID 71095705

IUPAC1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)s1)NC1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C24H24N4OS/c29-24(28-22-14-13-21(30-22)16-7-2-1-3-8-16)25-18-10-6-9-17(15-18)23-26-19-11-4-5-12-20(19)27-23/h1-5,7-8,11-14,17-18H,6,9-10,15H2,(H,26,27)(H2,25,28,29)
InChIKeyZBQFZECMXBZYKJ-UHFFFAOYSA-N
MW416.55 g/mol
LogP6.14
Rot. Bonds4

About 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea

1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea (PubChem CID 71095705) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea
PubChem CID71095705
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)s1)NC1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C24H24N4OS/c29-24(28-22-14-13-21(30-22)16-7-2-1-3-8-16)25-18-10-6-9-17(15-18)23-26-19-11-4-5-12-20(19)27-23/h1-5,7-8,11-14,17-18H,6,9-10,15H2,(H,26,27)(H2,25,28,29)
InChIKeyZBQFZECMXBZYKJ-UHFFFAOYSA-N
XLogP6.14
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(2,4-dichlorophenyl)urea
CID 59175073
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71095713
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide
CID 143699908
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
CID 166240017
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138036144
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 59175200
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methylsulfinylbenzamide;2,2,2-trifluoroacetic acid
CID 68573846
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 143699929
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
CID 4159955
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane
CID 143700070

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea (CID 71095705) is 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea is O=C(Nc1ccc(-c2ccccc2)s1)NC1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea?
The InChIKey is ZBQFZECMXBZYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-24(28-22-14-13-21(30-22)16-7-2-1-3-8-16)25-18-10-6-9-17(15-18)23-26-19-11-4-5-12-20(19)27-23/h1-5,7-8,11-14,17-18H,6,9-10,15H2,(H,26,27)(H2,25,28,29).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea?
1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea has a molecular weight of 416.55 g/mol, XLogP of 6.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea is sourced from PubChem (CID 71095705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).