3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one

C20H28N4O2 — CID 119398391

IUPAC3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCNCC1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1
InChIInChI=1S/C20H28N4O2/c1-21-12-14-5-4-10-23(13-14)19(25)15-8-9-18-17(11-15)22-20(26)24(18)16-6-2-3-7-16/h8-9,11,14,16,21H,2-7,10,12-13H2,1H3,(H,22,26)
InChIKeyPIZWIOSPACXYTF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.52
Rot. Bonds4

About 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one

3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one (PubChem CID 119398391) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
PubChem CID119398391
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCNCC1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1
InChIInChI=1S/C20H28N4O2/c1-21-12-14-5-4-10-23(13-14)19(25)15-8-9-18-17(11-15)22-20(26)24(18)16-6-2-3-7-16/h8-9,11,14,16,21H,2-7,10,12-13H2,1H3,(H,22,26)
InChIKeyPIZWIOSPACXYTF-UHFFFAOYSA-N
XLogP2.52
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
CID 119638825
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119539121
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204710

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one (CID 119398391) is 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one is CNCC1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The InChIKey is PIZWIOSPACXYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-21-12-14-5-4-10-23(13-14)19(25)15-8-9-18-17(11-15)22-20(26)24(18)16-6-2-3-7-16/h8-9,11,14,16,21H,2-7,10,12-13H2,1H3,(H,22,26).
What are the key properties of 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 119398391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).