4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid

C15H14N4O2 — CID 102973965

IUPAC4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCCc1nc2ccccc2n1Cc1ncncc1C(=O)O
InChIInChI=1S/C15H14N4O2/c1-2-14-18-11-5-3-4-6-13(11)19(14)8-12-10(15(20)21)7-16-9-17-12/h3-7,9H,2,8H2,1H3,(H,20,21)
InChIKeyDMTVVNDMGUOETM-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.14
Rot. Bonds4

About 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid

4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid (PubChem CID 102973965) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid
PubChem CID102973965
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCCc1nc2ccccc2n1Cc1ncncc1C(=O)O
InChIInChI=1S/C15H14N4O2/c1-2-14-18-11-5-3-4-6-13(11)19(14)8-12-10(15(20)21)7-16-9-17-12/h3-7,9H,2,8H2,1H3,(H,20,21)
InChIKeyDMTVVNDMGUOETM-UHFFFAOYSA-N
XLogP2.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic 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

3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63107308
2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide
CID 116622514
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
CID 55177426
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanone
CID 60975590
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
5-[(2-ethylbenzimidazol-1-yl)methyl]pyrazin-2-amine
CID 103057307
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63106183
2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid
CID 63107309
2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole
CID 82742020
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid (CID 102973965) is 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid is CCc1nc2ccccc2n1Cc1ncncc1C(=O)O.
What is the InChIKey of 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is DMTVVNDMGUOETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-14-18-11-5-3-4-6-13(11)19(14)8-12-10(15(20)21)7-16-9-17-12/h3-7,9H,2,8H2,1H3,(H,20,21).
What are the key properties of 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid?
4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102973965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).