2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid

C14H19N3O2 — CID 55159468

IUPAC2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(CN(C)C)n(CC(=O)O)c2cc1C
InChIInChI=1S/C14H19N3O2/c1-9-5-11-12(6-10(9)2)17(8-14(18)19)13(15-11)7-16(3)4/h5-6H,7-8H2,1-4H3,(H,18,19)
InChIKeyNWIFSPVJBNVTRV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.80
Rot. Bonds4

About 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid

2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid (PubChem CID 55159468) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
PubChem CID55159468
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(CN(C)C)n(CC(=O)O)c2cc1C
InChIInChI=1S/C14H19N3O2/c1-9-5-11-12(6-10(9)2)17(8-14(18)19)13(15-11)7-16(3)4/h5-6H,7-8H2,1-4H3,(H,18,19)
InChIKeyNWIFSPVJBNVTRV-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82311942
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62335822
2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid
CID 62336746
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 82310954
2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62337121
2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 82145200
2-[5,6-dimethyl-2-(trichloromethyl)benzimidazol-1-yl]acetic acid
CID 94748222
2-[2-[[carboxymethyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetic acid
CID 82310904
2-[2-(4-aminophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 71683625
2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
CID 61364519

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid (CID 55159468) is 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid is Cc1cc2nc(CN(C)C)n(CC(=O)O)c2cc1C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The InChIKey is NWIFSPVJBNVTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-5-11-12(6-10(9)2)17(8-14(18)19)13(15-11)7-16(3)4/h5-6H,7-8H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid?
2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 55159468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).