6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one

C18H24N4O2 — CID 119486752

IUPAC6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
SMILESNCC1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1
InChIInChI=1S/C18H24N4O2/c19-10-12-7-8-21(11-12)17(23)13-5-6-16-15(9-13)20-18(24)22(16)14-3-1-2-4-14/h5-6,9,12,14H,1-4,7-8,10-11,19H2,(H,20,24)
InChIKeyGNXACSMJAYLRIR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.87
Rot. Bonds3

About 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one

6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one (PubChem CID 119486752) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
PubChem CID119486752
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
SMILESNCC1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1
InChIInChI=1S/C18H24N4O2/c19-10-12-7-8-21(11-12)17(23)13-5-6-16-15(9-13)20-18(24)22(16)14-3-1-2-4-14/h5-6,9,12,14H,1-4,7-8,10-11,19H2,(H,20,24)
InChIKeyGNXACSMJAYLRIR-UHFFFAOYSA-N
XLogP1.87
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
CID 119638825
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393
6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 120747294
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139001632
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119485321
1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 136552219
3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139012625
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one?
The IUPAC name of 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one (CID 119486752) is 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one is NCC1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1.
What is the InChIKey of 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one?
The InChIKey is GNXACSMJAYLRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-10-12-7-8-21(11-12)17(23)13-5-6-16-15(9-13)20-18(24)22(16)14-3-1-2-4-14/h5-6,9,12,14H,1-4,7-8,10-11,19H2,(H,20,24).
What are the key properties of 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one?
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one is sourced from PubChem (CID 119486752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).