2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole

C17H20N6 — CID 133448692

IUPAC2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCC(c4nncn4C4CC4)CC3)nc2c1
InChIInChI=1S/C17H20N6/c1-2-4-15-14(3-1)19-17(20-15)22-9-7-12(8-10-22)16-21-18-11-23(16)13-5-6-13/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyRBSOHVUCGUXSMH-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.87
Rot. Bonds3

About 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole

2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole (PubChem CID 133448692) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole
PubChem CID133448692
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCC(c4nncn4C4CC4)CC3)nc2c1
InChIInChI=1S/C17H20N6/c1-2-4-15-14(3-1)19-17(20-15)22-9-7-12(8-10-22)16-21-18-11-23(16)13-5-6-13/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyRBSOHVUCGUXSMH-UHFFFAOYSA-N
XLogP2.87
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)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-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
CID 75435540
2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
CID 133410848
4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1-[2-(difluoromethylsulfonyl)phenyl]piperidine
CID 133448736
[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 20882839
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-[4-(oxan-4-yl)-1,4-diazepan-1-yl]-1H-benzimidazole
CID 133410388

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole (CID 133448692) is 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole is c1ccc2[nH]c(N3CCC(c4nncn4C4CC4)CC3)nc2c1.
What is the InChIKey of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole?
The InChIKey is RBSOHVUCGUXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-4-15-14(3-1)19-17(20-15)22-9-7-12(8-10-22)16-21-18-11-23(16)13-5-6-13/h1-4,11-13H,5-10H2,(H,19,20).
What are the key properties of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole?
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole has a molecular weight of 308.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 133448692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).