1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C18H23N3O2 — CID 71880640

IUPAC1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCN(CC1CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C18H23N3O2/c1-20(11-12-6-7-12)17(22)13-8-9-16-15(10-13)19-18(23)21(16)14-4-2-3-5-14/h8-10,12,14H,2-7,11H2,1H3,(H,19,23)
InChIKeyGRMCHJPIPDCXLW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.93
Rot. Bonds4

About 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide

1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 71880640) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID71880640
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCN(CC1CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C18H23N3O2/c1-20(11-12-6-7-12)17(22)13-8-9-16-15(10-13)19-18(23)21(16)14-4-2-3-5-14/h8-10,12,14H,2-7,11H2,1H3,(H,19,23)
InChIKeyGRMCHJPIPDCXLW-UHFFFAOYSA-N
XLogP2.93
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-1-cyclopentyl-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 119660783
1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771618
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391
N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 120884273
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
1-cyclopentyl-2-oxo-N-propyl-N-pyrrolidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119532706
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
(3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 95905270
1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 136522609
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 70752306

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 71880640) is 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide is CN(CC1CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is GRMCHJPIPDCXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20(11-12-6-7-12)17(22)13-8-9-16-15(10-13)19-18(23)21(16)14-4-2-3-5-14/h8-10,12,14H,2-7,11H2,1H3,(H,19,23).
What are the key properties of 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71880640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).