5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid

C15H17N3O2 — CID 117431127

IUPAC5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3nc(C4CC4)[nH]c3c2)C1
InChIInChI=1S/C15H17N3O2/c19-15(20)10-6-12(16-7-10)9-3-4-11-13(5-9)18-14(17-11)8-1-2-8/h3-5,8,10,12,16H,1-2,6-7H2,(H,17,18)(H,19,20)
InChIKeyZEOUBMSZECPUGX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.18
Rot. Bonds3

About 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid

5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117431127) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID117431127
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3nc(C4CC4)[nH]c3c2)C1
InChIInChI=1S/C15H17N3O2/c19-15(20)10-6-12(16-7-10)9-3-4-11-13(5-9)18-14(17-11)8-1-2-8/h3-5,8,10,12,16H,1-2,6-7H2,(H,17,18)(H,19,20)
InChIKeyZEOUBMSZECPUGX-UHFFFAOYSA-N
XLogP2.18
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551644
5-isoquinolin-7-ylpyrrolidine-3-carboxylic acid
CID 117357640
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472
5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117367740
5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid
CID 117480696
5-(4-methyl-3-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117381968
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551600
5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117464706

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid (CID 117431127) is 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc3nc(C4CC4)[nH]c3c2)C1.
What is the InChIKey of 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZEOUBMSZECPUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)10-6-12(16-7-10)9-3-4-11-13(5-9)18-14(17-11)8-1-2-8/h3-5,8,10,12,16H,1-2,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid?
5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117431127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).