N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide

C15H17N5O — CID 43229181

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N5O/c21-15(6-9-20-10-8-16-11-20)17-7-5-14-18-12-3-1-2-4-13(12)19-14/h1-4,8,10-11H,5-7,9H2,(H,17,21)(H,18,19)
InChIKeyITGXTGSCZFBSAY-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide (PubChem CID 43229181) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide
PubChem CID43229181
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N5O/c21-15(6-9-20-10-8-16-11-20)17-7-5-14-18-12-3-1-2-4-13(12)19-14/h1-4,8,10-11H,5-7,9H2,(H,17,21)(H,18,19)
InChIKeyITGXTGSCZFBSAY-UHFFFAOYSA-N
XLogP1.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide 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

4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77090072
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide
CID 75490053
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 31409989
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30209739

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide (CID 43229181) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide?
The InChIKey is ITGXTGSCZFBSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(6-9-20-10-8-16-11-20)17-7-5-14-18-12-3-1-2-4-13(12)19-14/h1-4,8,10-11H,5-7,9H2,(H,17,21)(H,18,19).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 43229181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).