2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid

C18H17ClN2O2 — CID 82142151

IUPAC2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
SMILESCC(C)n1c(-c2cccc(Cl)c2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H17ClN2O2/c1-11(2)21-16-7-6-12(9-17(22)23)8-15(16)20-18(21)13-4-3-5-14(19)10-13/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyTYRRSDIFKUHSNI-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.56
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid

2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid (PubChem CID 82142151) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
PubChem CID82142151
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
SMILESCC(C)n1c(-c2cccc(Cl)c2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H17ClN2O2/c1-11(2)21-16-7-6-12(9-17(22)23)8-15(16)20-18(21)13-4-3-5-14(19)10-13/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyTYRRSDIFKUHSNI-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915206
2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142139
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 94748134
2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 94742947
2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
CID 82144800
2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142040
2-[3-(chloromethyl)phenyl]-1-propan-2-ylbenzimidazole
CID 43325834
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
CID 82142028

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid (CID 82142151) is 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid is CC(C)n1c(-c2cccc(Cl)c2)nc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid?
The InChIKey is TYRRSDIFKUHSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11(2)21-16-7-6-12(9-17(22)23)8-15(16)20-18(21)13-4-3-5-14(19)10-13/h3-8,10-11H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid?
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid has a molecular weight of 328.80 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).