2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole

C18H25N3O — CID 133410848

IUPAC2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCC(OCC4CCCC4)CC3)nc2c1
InChIInChI=1S/C18H25N3O/c1-2-6-14(5-1)13-22-15-9-11-21(12-10-15)18-19-16-7-3-4-8-17(16)20-18/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,19,20)
InChIKeyZDCXXKIYSNSMJQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.74
Rot. Bonds4

About 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole

2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole (PubChem CID 133410848) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
PubChem CID133410848
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCC(OCC4CCCC4)CC3)nc2c1
InChIInChI=1S/C18H25N3O/c1-2-6-14(5-1)13-22-15-9-11-21(12-10-15)18-19-16-7-3-4-8-17(16)20-18/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,19,20)
InChIKeyZDCXXKIYSNSMJQ-UHFFFAOYSA-N
XLogP3.74
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyclopentylmethoxy)piperidin-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-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione
CID 126543326
2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one
CID 136790933
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)pyrimidin-4-amine
CID 75433494
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381
2-[4-(2-chloroethyl)piperazin-1-yl]-1H-benzimidazole
CID 63392230
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole (CID 133410848) is 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole is c1ccc2[nH]c(N3CCC(OCC4CCCC4)CC3)nc2c1.
What is the InChIKey of 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole?
The InChIKey is ZDCXXKIYSNSMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-6-14(5-1)13-22-15-9-11-21(12-10-15)18-19-16-7-3-4-8-17(16)20-18/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,19,20).
What are the key properties of 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole?
2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole has a molecular weight of 299.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 133410848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).