2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole

C16H22N4 — CID 60978845

IUPAC2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCCC(C4CCCN4)C3)nc2c1
InChIInChI=1S/C16H22N4/c1-2-7-15-14(6-1)18-16(19-15)20-10-4-5-12(11-20)13-8-3-9-17-13/h1-2,6-7,12-13,17H,3-5,8-11H2,(H,18,19)
InChIKeyKAGZXTVPYMELLV-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole

2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole (PubChem CID 60978845) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
PubChem CID60978845
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCCC(C4CCCN4)C3)nc2c1
InChIInChI=1S/C16H22N4/c1-2-7-15-14(6-1)18-16(19-15)20-10-4-5-12(11-20)13-8-3-9-17-13/h1-2,6-7,12-13,17H,3-5,8-11H2,(H,18,19)
InChIKeyKAGZXTVPYMELLV-UHFFFAOYSA-N
XLogP2.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole 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

2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204630
(4aR,8aS)-6-(1H-benzimidazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine;dihydrochloride
CID 154924128
6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 103295247
3-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 62484087
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole
CID 133411160
2-[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]quinoxaline
CID 166266864
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole
CID 125141302
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204667

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole (CID 60978845) is 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole is c1ccc2[nH]c(N3CCCC(C4CCCN4)C3)nc2c1.
What is the InChIKey of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole?
The InChIKey is KAGZXTVPYMELLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-7-15-14(6-1)18-16(19-15)20-10-4-5-12(11-20)13-8-3-9-17-13/h1-2,6-7,12-13,17H,3-5,8-11H2,(H,18,19).
What are the key properties of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole?
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole has a molecular weight of 270.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 60978845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).