6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole

C17H17N3 — CID 130454688

IUPAC6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
SMILESc1ccc(-c2ccc3nc(C4CCNC4)[nH]c3c2)cc1
InChIInChI=1S/C17H17N3/c1-2-4-12(5-3-1)13-6-7-15-16(10-13)20-17(19-15)14-8-9-18-11-14/h1-7,10,14,18H,8-9,11H2,(H,19,20)
InChIKeyUFAQQHHWLNQLNH-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.31
Rot. Bonds2

About 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole

6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole (PubChem CID 130454688) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
PubChem CID130454688
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
SMILESc1ccc(-c2ccc3nc(C4CCNC4)[nH]c3c2)cc1
InChIInChI=1S/C17H17N3/c1-2-4-12(5-3-1)13-6-7-15-16(10-13)20-17(19-15)14-8-9-18-11-14/h1-7,10,14,18H,8-9,11H2,(H,19,20)
InChIKeyUFAQQHHWLNQLNH-UHFFFAOYSA-N
XLogP3.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole
CID 155211431
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
CID 82184491
(3S)-3-phenylpyrrolidine;6-pyridin-4-yl-1H-benzimidazole
CID 143821957
2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
CID 18365254
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
2-bromo-6-phenyl-1H-benzimidazole
CID 97036463
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole?
The IUPAC name of 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole (CID 130454688) is 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole.
What is the SMILES notation for 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole?
The canonical SMILES for 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole is c1ccc(-c2ccc3nc(C4CCNC4)[nH]c3c2)cc1.
What is the InChIKey of 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole?
The InChIKey is UFAQQHHWLNQLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-4-12(5-3-1)13-6-7-15-16(10-13)20-17(19-15)14-8-9-18-11-14/h1-7,10,14,18H,8-9,11H2,(H,19,20).
What are the key properties of 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole?
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole has a molecular weight of 263.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole is sourced from PubChem (CID 130454688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).