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

C12H15N3O2 — CID 115218062

IUPAC2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H15N3O2/c1-14(7-12(16)17)6-9-3-4-11-10(5-9)13-8-15(11)2/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyXPMOROKUHRTCRN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.09
Rot. Bonds4

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

2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid (PubChem CID 115218062) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid
PubChem CID115218062
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H15N3O2/c1-14(7-12(16)17)6-9-3-4-11-10(5-9)13-8-15(11)2/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyXPMOROKUHRTCRN-UHFFFAOYSA-N
XLogP1.09
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115259483
2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115257973
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115214975
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]propanoic acid
CID 117041964
3-amino-1-methyl-1-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 115192819
2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
CID 115178873
2,2-difluoro-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116838287
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
CID 115191346
(E)-4-(1-methylbenzimidazol-5-yl)but-2-enoic acid
CID 116866062
3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
CID 115193077
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115262441

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid (CID 115218062) is 2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid is CN(CC(=O)O)Cc1ccc2c(c1)ncn2C.
What is the InChIKey of 2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid?
The InChIKey is XPMOROKUHRTCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14(7-12(16)17)6-9-3-4-11-10(5-9)13-8-15(11)2/h3-5,8H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid?
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 115218062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).