6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride

C20H29ClN4O2 — CID 119520393

IUPAC6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CC1.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-13(21)14-8-10-23(11-9-14)19(25)15-6-7-18-17(12-15)22-20(26)24(18)16-4-2-3-5-16;/h6-7,12-14,16H,2-5,8-11,21H2,1H3,(H,22,26);1H
InChIKeyNOLMMTUVQQXVJI-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.07
Rot. Bonds3

About 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride

6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride (PubChem CID 119520393) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
PubChem CID119520393
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CC1.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-13(21)14-8-10-23(11-9-14)19(25)15-6-7-18-17(12-15)22-20(26)24(18)16-4-2-3-5-16;/h6-7,12-14,16H,2-5,8-11,21H2,1H3,(H,22,26);1H
InChIKeyNOLMMTUVQQXVJI-UHFFFAOYSA-N
XLogP3.07
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159
3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
CID 119638825
3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139001632
1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 136552219
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391
3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139012625
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 120747294
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
N-(3-amino-4-methylpentyl)-1-cyclopentyl-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 119660783
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
CID 119520750

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride (CID 119520393) is 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride is CC(N)C1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CC1.Cl.
What is the InChIKey of 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is NOLMMTUVQQXVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c1-13(21)14-8-10-23(11-9-14)19(25)15-6-7-18-17(12-15)22-20(26)24(18)16-4-2-3-5-16;/h6-7,12-14,16H,2-5,8-11,21H2,1H3,(H,22,26);1H.
What are the key properties of 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride?
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 119520393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).