2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole

C17H17N3 — CID 133409902

IUPAC2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
SMILESc1ccc(C2CCN(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C17H17N3/c1-2-6-13(7-3-1)14-10-11-20(12-14)17-18-15-8-4-5-9-16(15)19-17/h1-9,14H,10-12H2,(H,18,19)
InChIKeyJFRGKYDGPOAAGE-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.56
Rot. Bonds2

About 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole

2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole (PubChem CID 133409902) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
PubChem CID133409902
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
SMILESc1ccc(C2CCN(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C17H17N3/c1-2-6-13(7-3-1)14-10-11-20(12-14)17-18-15-8-4-5-9-16(15)19-17/h1-9,14H,10-12H2,(H,18,19)
InChIKeyJFRGKYDGPOAAGE-UHFFFAOYSA-N
XLogP3.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-phenylpyrrolidin-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

1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1H-benzimidazole
CID 133448692
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole
CID 125141302
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 60978845
4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine
CID 133410094
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole (CID 133409902) is 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole is c1ccc(C2CCN(c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole?
The InChIKey is JFRGKYDGPOAAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-6-13(7-3-1)14-10-11-20(12-14)17-18-15-8-4-5-9-16(15)19-17/h1-9,14H,10-12H2,(H,18,19).
What are the key properties of 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole?
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole has a molecular weight of 263.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 133409902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).