2-amino-3-propylbenzimidazole-5-carboxylic acid

C11H13N3O2 — CID 84786648

IUPAC2-amino-3-propylbenzimidazole-5-carboxylic acid
SMILESCCCn1c(N)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C11H13N3O2/c1-2-5-14-9-6-7(10(15)16)3-4-8(9)13-11(14)12/h3-4,6H,2,5H2,1H3,(H2,12,13)(H,15,16)
InChIKeyCXIXXJCLBWOCFU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.73
Rot. Bonds3

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

2-amino-3-propylbenzimidazole-5-carboxylic acid (PubChem CID 84786648) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-3-propylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-propylbenzimidazole-5-carboxylic acid
PubChem CID84786648
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-amino-3-propylbenzimidazole-5-carboxylic acid
SMILESCCCn1c(N)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C11H13N3O2/c1-2-5-14-9-6-7(10(15)16)3-4-8(9)13-11(14)12/h3-4,6H,2,5H2,1H3,(H2,12,13)(H,15,16)
InChIKeyCXIXXJCLBWOCFU-UHFFFAOYSA-N
XLogP1.73
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-methylpropyl)benzimidazole-5-carboxylic acid
CID 84796053
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
(2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid
CID 68790603
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106279134
2-amino-1-propylbenzimidazol-5-ol
CID 84771922
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 84785186
2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
CID 82773344
3-[3-(2-aminobenzimidazol-1-yl)propoxy]benzoic acid
CID 70881430

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-propylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-amino-3-propylbenzimidazole-5-carboxylic acid (CID 84786648) is 2-amino-3-propylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-3-propylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-amino-3-propylbenzimidazole-5-carboxylic acid is CCCn1c(N)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 2-amino-3-propylbenzimidazole-5-carboxylic acid?
The InChIKey is CXIXXJCLBWOCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-5-14-9-6-7(10(15)16)3-4-8(9)13-11(14)12/h3-4,6H,2,5H2,1H3,(H2,12,13)(H,15,16).
What are the key properties of 2-amino-3-propylbenzimidazole-5-carboxylic acid?
2-amino-3-propylbenzimidazole-5-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-propylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 84786648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).