1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid

C14H15N3O3 — CID 110089596

IUPAC1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1nc2ccc(C(=O)N3CCC(C(=O)O)C3)cc2[nH]1
InChIInChI=1S/C14H15N3O3/c1-8-15-11-3-2-9(6-12(11)16-8)13(18)17-5-4-10(7-17)14(19)20/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)(H,19,20)
InChIKeyZNOPTVXRGPRRQO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.42
Rot. Bonds2

About 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid

1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 110089596) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID110089596
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1nc2ccc(C(=O)N3CCC(C(=O)O)C3)cc2[nH]1
InChIInChI=1S/C14H15N3O3/c1-8-15-11-3-2-9(6-12(11)16-8)13(18)17-5-4-10(7-17)14(19)20/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)(H,19,20)
InChIKeyZNOPTVXRGPRRQO-UHFFFAOYSA-N
XLogP1.42
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602
(6R)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964373
(6S)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964374
(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 125011280
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331
(2-methyl-3H-benzimidazol-5-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246184

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 110089596) is 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid is Cc1nc2ccc(C(=O)N3CCC(C(=O)O)C3)cc2[nH]1.
What is the InChIKey of 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZNOPTVXRGPRRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-15-11-3-2-9(6-12(11)16-8)13(18)17-5-4-10(7-17)14(19)20/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 110089596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).