1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine

C13H20N4 — CID 83961987

IUPAC1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
SMILESCC(N)CNCCc1nc2ccccc2n1C
InChIInChI=1S/C13H20N4/c1-10(14)9-15-8-7-13-16-11-5-3-4-6-12(11)17(13)2/h3-6,10,15H,7-9,14H2,1-2H3
InChIKeyJROLTFDVHKIEAW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.05
Rot. Bonds5

About 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine

1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine (PubChem CID 83961987) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
PubChem CID83961987
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
SMILESCC(N)CNCCc1nc2ccccc2n1C
InChIInChI=1S/C13H20N4/c1-10(14)9-15-8-7-13-16-11-5-3-4-6-12(11)17(13)2/h3-6,10,15H,7-9,14H2,1-2H3
InChIKeyJROLTFDVHKIEAW-UHFFFAOYSA-N
XLogP1.05
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine 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-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 83961969
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750882
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 83961971
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine (CID 83961987) is 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine is CC(N)CNCCc1nc2ccccc2n1C.
What is the InChIKey of 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine?
The InChIKey is JROLTFDVHKIEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(14)9-15-8-7-13-16-11-5-3-4-6-12(11)17(13)2/h3-6,10,15H,7-9,14H2,1-2H3.
What are the key properties of 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine?
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 83961987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).