2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid

C15H21N3O2 — CID 82311003

IUPAC2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1c(CN(C)C)nc2cc(C)ccc21
InChIInChI=1S/C15H21N3O2/c1-5-12(15(19)20)18-13-7-6-10(2)8-11(13)16-14(18)9-17(3)4/h6-8,12H,5,9H2,1-4H3,(H,19,20)
InChIKeySVBXVYLMWJVERS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.44
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid

2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid (PubChem CID 82311003) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid
PubChem CID82311003
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1c(CN(C)C)nc2cc(C)ccc21
InChIInChI=1S/C15H21N3O2/c1-5-12(15(19)20)18-13-7-6-10(2)8-11(13)16-14(18)9-17(3)4/h6-8,12H,5,9H2,1-4H3,(H,19,20)
InChIKeySVBXVYLMWJVERS-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
2-(2-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butanoic acid
CID 82145806
2-[1-[1-(dimethylamino)propan-2-yl]-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 82940267
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
2-[2-[[carboxymethyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetic acid
CID 82310904
2-[5-methyl-1-(3-methylpentan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 61463776
2-methyl-3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 103499832
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 55159468

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid (CID 82311003) is 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid is CCC(C(=O)O)n1c(CN(C)C)nc2cc(C)ccc21.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid?
The InChIKey is SVBXVYLMWJVERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-12(15(19)20)18-13-7-6-10(2)8-11(13)16-14(18)9-17(3)4/h6-8,12H,5,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid?
2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid is sourced from PubChem (CID 82311003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).