2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid

C15H21N3O2 — CID 100586689

IUPAC2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid
SMILESCCN(CC)CCCc1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C15H21N3O2/c1-3-18(4-2)9-5-6-14-16-12-8-7-11(15(19)20)10-13(12)17-14/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyMGVBSGCKBJBUIB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds7

About 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid

2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 100586689) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid
PubChem CID100586689
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid
SMILESCCN(CC)CCCc1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C15H21N3O2/c1-3-18(4-2)9-5-6-14-16-12-8-7-11(15(19)20)10-13(12)17-14/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyMGVBSGCKBJBUIB-UHFFFAOYSA-N
XLogP2.54
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(diethylamino)propyl]-3H-benzimidazole-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

2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764
2-(3,3-dimethylbutyl)-3H-benzimidazole-5-carboxylic acid
CID 11288070
2-(3-methoxy-3-oxopropyl)-3H-benzimidazole-5-carboxylic acid
CID 18740804
2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid
CID 165456701
[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 79204635
2-[2-(4-aminophenyl)ethyl]-3H-benzimidazole-5-carboxylic acid dichloride
CID 43829299
2-[2-(4-aminophenyl)ethyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 44630855
2-heptyl-4-oxo-3H-quinazoline-6-carboxylic acid
CID 135711228
2-[3-(2-methylpiperidin-1-yl)propyl]-3H-benzimidazole-5-carboxylic acid
CID 133240177
2-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3H-benzimidazole-5-carboxylic acid
CID 100586739
2-(propan-2-yloxymethyl)-3H-benzimidazole-5-carboxylic acid
CID 112603089
2-[(4-tert-butylphenyl)methyl]-3H-benzimidazole-5-carboxylic acid
CID 145226643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid (CID 100586689) is 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid is CCN(CC)CCCc1nc2ccc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is MGVBSGCKBJBUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-18(4-2)9-5-6-14-16-12-8-7-11(15(19)20)10-13(12)17-14/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid?
2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 100586689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).