1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid

C14H11N3O2 — CID 28550069

IUPAC1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2Cc1cccnc1
InChIInChI=1S/C14H11N3O2/c18-14(19)11-3-4-13-12(6-11)16-9-17(13)8-10-2-1-5-15-7-10/h1-7,9H,8H2,(H,18,19)
InChIKeyNCRJSXYOJDBICO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.18
Rot. Bonds3

About 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid

1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 28550069) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID28550069
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2Cc1cccnc1
InChIInChI=1S/C14H11N3O2/c18-14(19)11-3-4-13-12(6-11)16-9-17(13)8-10-2-1-5-15-7-10/h1-7,9H,8H2,(H,18,19)
InChIKeyNCRJSXYOJDBICO-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-methyl-1H-1,3-benzodiazole-5-carboxylic acid
CID 1132609
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
5-Benzimidazolecarboxylic acid
CID 459456
4-(1-Imidazolyl)benzoic Acid
CID 736529
2-(4-fluorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid
CID 17010630
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
Quinoxaline-6-carboxylic acid
CID 674813
Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid (CID 28550069) is 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is NCRJSXYOJDBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)11-3-4-13-12(6-11)16-9-17(13)8-10-2-1-5-15-7-10/h1-7,9H,8H2,(H,18,19).
What are the key properties of 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid?
1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 28550069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).