3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid

C15H17ClN2O2 — CID 103499872

IUPAC3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C15H17ClN2O2/c1-8(9(2)15(19)20)14-17-12-5-3-4-11(16)13(12)18(14)10-6-7-10/h3-5,8-10H,6-7H2,1-2H3,(H,19,20)
InChIKeyQYQMMGQRFVAFMO-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.85
Rot. Bonds4

About 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid

3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid (PubChem CID 103499872) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid
PubChem CID103499872
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C15H17ClN2O2/c1-8(9(2)15(19)20)14-17-12-5-3-4-11(16)13(12)18(14)10-6-7-10/h3-5,8-10H,6-7H2,1-2H3,(H,19,20)
InChIKeyQYQMMGQRFVAFMO-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)ethanamine
CID 83868081
7-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 43666432
1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 60787763
7-chloro-2-(1-chloroethyl)-1-cycloheptylbenzimidazole
CID 43667424
1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine
CID 54920072
7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole
CID 63770797
2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine
CID 114144451
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole
CID 43666575
1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine
CID 67447528
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259207
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid?
The IUPAC name of 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid (CID 103499872) is 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid.
What is the SMILES notation for 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid?
The canonical SMILES for 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid is CC(C(=O)O)C(C)c1nc2cccc(Cl)c2n1C1CC1.
What is the InChIKey of 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid?
The InChIKey is QYQMMGQRFVAFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-8(9(2)15(19)20)14-17-12-5-3-4-11(16)13(12)18(14)10-6-7-10/h3-5,8-10H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid?
3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid has a molecular weight of 292.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid is sourced from PubChem (CID 103499872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).