2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid

C10H9ClN2O3 — CID 84800608

IUPAC2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid
SMILESCOc1cccc2nc(Cl)n(CC(=O)O)c12
InChIInChI=1S/C10H9ClN2O3/c1-16-7-4-2-3-6-9(7)13(5-8(14)15)10(11)12-6/h2-4H,5H2,1H3,(H,14,15)
InChIKeyFDGVHWAEEXVJQP-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid

2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid (PubChem CID 84800608) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid
PubChem CID84800608
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid
SMILESCOc1cccc2nc(Cl)n(CC(=O)O)c12
InChIInChI=1S/C10H9ClN2O3/c1-16-7-4-2-3-6-9(7)13(5-8(14)15)10(11)12-6/h2-4H,5H2,1H3,(H,14,15)
InChIKeyFDGVHWAEEXVJQP-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-7-hydroxybenzimidazol-1-yl)acetic acid
CID 84791106
2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
CID 117263802
2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
CID 138658423
2-(4-amino-8-methoxypyrimido[4,5-b]indol-9-yl)acetic acid
CID 156877028
2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid
CID 67539220
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
acetic acid;1-methoxyphenazine
CID 174937212
4-(7-methoxyindol-1-yl)-4-oxobutanoic acid
CID 83971073
2-amino-1-[(E)-4-(2-amino-7-methoxybenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxamide
CID 140862573
[2-[4-[(2-butyl-7-methoxybenzimidazol-1-yl)methyl]phenyl]phenyl] hydrogen carbonate
CID 67756136

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid (CID 84800608) is 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid is COc1cccc2nc(Cl)n(CC(=O)O)c12.
What is the InChIKey of 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid?
The InChIKey is FDGVHWAEEXVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-16-7-4-2-3-6-9(7)13(5-8(14)15)10(11)12-6/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid?
2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid has a molecular weight of 240.65 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84800608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).