3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one

C13H15N3O2 — CID 117365069

IUPAC3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
SMILESCNCC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C13H15N3O2/c1-14-7-12(17)8-2-5-11-10(6-8)15-13(18)16(11)9-3-4-9/h2,5-6,9,14H,3-4,7H2,1H3,(H,15,18)
InChIKeyHSAFMINQADWNQW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.07
Rot. Bonds4

About 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one

3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one (PubChem CID 117365069) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
PubChem CID117365069
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
SMILESCNCC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C13H15N3O2/c1-14-7-12(17)8-2-5-11-10(6-8)15-13(18)16(11)9-3-4-9/h2,5-6,9,14H,3-4,7H2,1H3,(H,15,18)
InChIKeyHSAFMINQADWNQW-UHFFFAOYSA-N
XLogP1.07
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640
3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
CID 84672284
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330
2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 119212122
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 22558089
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one (CID 117365069) is 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one is CNCC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1.
What is the InChIKey of 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one?
The InChIKey is HSAFMINQADWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-14-7-12(17)8-2-5-11-10(6-8)15-13(18)16(11)9-3-4-9/h2,5-6,9,14H,3-4,7H2,1H3,(H,15,18).
What are the key properties of 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one?
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117365069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).