2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid

C11H11N3O2 — CID 84785186

IUPAC2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
SMILESNc1nc2ccc(C(=O)O)cc2n1C1CC1
InChIInChI=1S/C11H11N3O2/c12-11-13-8-4-1-6(10(15)16)5-9(8)14(11)7-2-3-7/h1,4-5,7H,2-3H2,(H2,12,13)(H,15,16)
InChIKeyDPVWXYLXGDYPFP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.65
Rot. Bonds2

About 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid

2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid (PubChem CID 84785186) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
PubChem CID84785186
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
SMILESNc1nc2ccc(C(=O)O)cc2n1C1CC1
InChIInChI=1S/C11H11N3O2/c12-11-13-8-4-1-6(10(15)16)5-9(8)14(11)7-2-3-7/h1,4-5,7H,2-3H2,(H2,12,13)(H,15,16)
InChIKeyDPVWXYLXGDYPFP-UHFFFAOYSA-N
XLogP1.65
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-hydroxycyclohexyl)benzimidazole-5-carboxylic acid
CID 123935136
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 82769955
(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone
CID 70515128
3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 80502987
2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549178
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169
3-(oxan-4-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82770602
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
3-(3-hydroxycyclobutyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82790564
3-cyclopropylbenzotriazole-5-carboxylic acid
CID 82784612

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid (CID 84785186) is 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid is Nc1nc2ccc(C(=O)O)cc2n1C1CC1.
What is the InChIKey of 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid?
The InChIKey is DPVWXYLXGDYPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-11-13-8-4-1-6(10(15)16)5-9(8)14(11)7-2-3-7/h1,4-5,7H,2-3H2,(H2,12,13)(H,15,16).
What are the key properties of 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid?
2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 84785186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).