2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid

C12H14ClN3O2 — CID 119906378

IUPAC2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H14ClN3O2/c1-15(7-12(17)18)6-11-14-9-5-8(13)3-4-10(9)16(11)2/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyHAGGCMUTFLUSSO-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.74
Rot. Bonds4

About 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid

2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid (PubChem CID 119906378) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
PubChem CID119906378
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H14ClN3O2/c1-15(7-12(17)18)6-11-14-9-5-8(13)3-4-10(9)16(11)2/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyHAGGCMUTFLUSSO-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
2-[[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606697
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18733884
2-[2-[[carboxymethyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetic acid
CID 82310904
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78899266
2-[[(5-chloro-1-methylbenzimidazol-2-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128861
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872192
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid (CID 119906378) is 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid?
The InChIKey is HAGGCMUTFLUSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-15(7-12(17)18)6-11-14-9-5-8(13)3-4-10(9)16(11)2/h3-5H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid?
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid has a molecular weight of 267.72 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 119906378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).