7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid

C12H13N3O2 — CID 84794292

IUPAC7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid
SMILESNCc1cccc2nc(C(=O)O)n(C3CC3)c12
InChIInChI=1S/C12H13N3O2/c13-6-7-2-1-3-9-10(7)15(8-4-5-8)11(14-9)12(16)17/h1-3,8H,4-6,13H2,(H,16,17)
InChIKeyMVZAUIAUMNDANB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.53
Rot. Bonds3

About 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid

7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid (PubChem CID 84794292) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid
PubChem CID84794292
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid
SMILESNCc1cccc2nc(C(=O)O)n(C3CC3)c12
InChIInChI=1S/C12H13N3O2/c13-6-7-2-1-3-9-10(7)15(8-4-5-8)11(14-9)12(16)17/h1-3,8H,4-6,13H2,(H,16,17)
InChIKeyMVZAUIAUMNDANB-UHFFFAOYSA-N
XLogP1.53
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid
CID 83858260
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
CID 84776913
2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
CID 104966802
(1-cyclopropylindol-7-yl)methanamine
CID 115017101
1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid
CID 124926451
1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid
CID 83847442
7-chloro-1-(1,1-dioxothian-4-yl)benzimidazol-2-amine
CID 43662181
3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid
CID 103499872
3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
CID 115932845
sodium 1-cyclopropylbenzimidazole-2-carboxylate
CID 131637596
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid?
The IUPAC name of 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid (CID 84794292) is 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid.
What is the SMILES notation for 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid?
The canonical SMILES for 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid is NCc1cccc2nc(C(=O)O)n(C3CC3)c12.
What is the InChIKey of 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid?
The InChIKey is MVZAUIAUMNDANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-6-7-2-1-3-9-10(7)15(8-4-5-8)11(14-9)12(16)17/h1-3,8H,4-6,13H2,(H,16,17).
What are the key properties of 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid?
7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid is sourced from PubChem (CID 84794292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).