3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid

C14H19N3O2 — CID 65063064

IUPAC3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid
SMILESCC(c1nc2ccccc2n1C)N(C)CCC(=O)O
InChIInChI=1S/C14H19N3O2/c1-10(16(2)9-8-13(18)19)14-15-11-6-4-5-7-12(11)17(14)3/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyVTIUDEQOQXMKKW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.04
Rot. Bonds5

About 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid

3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid (PubChem CID 65063064) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid
PubChem CID65063064
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid
SMILESCC(c1nc2ccccc2n1C)N(C)CCC(=O)O
InChIInChI=1S/C14H19N3O2/c1-10(16(2)9-8-13(18)19)14-15-11-6-4-5-7-12(11)17(14)3/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyVTIUDEQOQXMKKW-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
CID 82311950
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N,N-dimethyl-2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43573947
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid (CID 65063064) is 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid is CC(c1nc2ccccc2n1C)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid?
The InChIKey is VTIUDEQOQXMKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(16(2)9-8-13(18)19)14-15-11-6-4-5-7-12(11)17(14)3/h4-7,10H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid?
3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid is sourced from PubChem (CID 65063064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).