2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid

C10H11N3O3 — CID 82562608

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
SMILESCOc1ccc2nc(NCC(=O)O)[nH]c2c1
InChIInChI=1S/C10H11N3O3/c1-16-6-2-3-7-8(4-6)13-10(12-7)11-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyNCWPYJRPPWPTQU-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.07
Rot. Bonds4

About 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid

2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid (PubChem CID 82562608) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
PubChem CID82562608
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
SMILESCOc1ccc2nc(NCC(=O)O)[nH]c2c1
InChIInChI=1S/C10H11N3O3/c1-16-6-2-3-7-8(4-6)13-10(12-7)11-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyNCWPYJRPPWPTQU-UHFFFAOYSA-N
XLogP1.07
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
2-[(2-methoxy-2-oxoethyl)amino]-3H-benzimidazole-5-carboxylic acid
CID 54123271
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide
CID 167780321
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
3-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]propanoic acid
CID 82336086
6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 129189179
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanoic acid;hydrobromide
CID 141040481

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid (CID 82562608) is 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid is COc1ccc2nc(NCC(=O)O)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid?
The InChIKey is NCWPYJRPPWPTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-6-2-3-7-8(4-6)13-10(12-7)11-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,11,12,13).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid?
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid has a molecular weight of 221.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid is sourced from PubChem (CID 82562608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).