2-(2-methylbenzimidazol-1-yl)acetic acid

C20H20N4O4 — CID 75530217

IUPAC2-(2-methylbenzimidazol-1-yl)acetic acid
SMILESCc1nc2ccccc2n1CC(=O)O.Cc1nc2ccccc2n1CC(=O)O
InChIInChI=1S/2C10H10N2O2/c2*1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2*2-5H,6H2,1H3,(H,13,14)
InChIKeyXZQRTQXAVUNXTJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-methylbenzimidazol-1-yl)acetic acid

2-(2-methylbenzimidazol-1-yl)acetic acid (PubChem CID 75530217) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)acetic acid
PubChem CID75530217
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-(2-methylbenzimidazol-1-yl)acetic acid
SMILESCc1nc2ccccc2n1CC(=O)O.Cc1nc2ccccc2n1CC(=O)O
InChIInChI=1S/2C10H10N2O2/c2*1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2*2-5H,6H2,1H3,(H,13,14)
InChIKeyXZQRTQXAVUNXTJ-UHFFFAOYSA-N
XLogP2.86
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 43168780
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
2-(2-hydrazinylbenzimidazol-1-yl)acetic acid
CID 2773162
2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]acetic acid
CID 67498083
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid
CID 115144077

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)acetic acid (CID 75530217) is 2-(2-methylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)acetic acid is Cc1nc2ccccc2n1CC(=O)O.Cc1nc2ccccc2n1CC(=O)O.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)acetic acid?
The InChIKey is XZQRTQXAVUNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2O2/c2*1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2*2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)acetic acid?
2-(2-methylbenzimidazol-1-yl)acetic acid has a molecular weight of 380.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 75530217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).