1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea

C17H24N4O — CID 110774752

IUPAC1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
SMILESCC(C)c1nc2cc(NC(=O)NC3CCCC3)ccc2n1C
InChIInChI=1S/C17H24N4O/c1-11(2)16-20-14-10-13(8-9-15(14)21(16)3)19-17(22)18-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H2,18,19,22)
InChIKeySGCWDMGPKXBGBZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.76
Rot. Bonds3

About 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea

1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea (PubChem CID 110774752) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
PubChem CID110774752
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
SMILESCC(C)c1nc2cc(NC(=O)NC3CCCC3)ccc2n1C
InChIInChI=1S/C17H24N4O/c1-11(2)16-20-14-10-13(8-9-15(14)21(16)3)19-17(22)18-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H2,18,19,22)
InChIKeySGCWDMGPKXBGBZ-UHFFFAOYSA-N
XLogP3.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 96679214
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide
CID 92589504
1-cyclohexyl-3-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea
CID 50750465
N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
CID 46385341
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 71701696
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide
CID 125431718
1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872072
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 91639594
1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 71843041
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea (CID 110774752) is 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea is CC(C)c1nc2cc(NC(=O)NC3CCCC3)ccc2n1C.
What is the InChIKey of 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea?
The InChIKey is SGCWDMGPKXBGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)16-20-14-10-13(8-9-15(14)21(16)3)19-17(22)18-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea?
1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea has a molecular weight of 300.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea is sourced from PubChem (CID 110774752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).