2-N-ethylbenzimidazole-1,2-diamine

C9H12N4 — CID 45078021

IUPAC2-N-ethylbenzimidazole-1,2-diamine
SMILESCCNc1nc2ccccc2n1N
InChIInChI=1S/C9H12N4/c1-2-11-9-12-7-5-3-4-6-8(7)13(9)10/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeyBLLADJXNRYOKDG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.18
Rot. Bonds2

About 2-N-ethylbenzimidazole-1,2-diamine

2-N-ethylbenzimidazole-1,2-diamine (PubChem CID 45078021) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-N-ethylbenzimidazole-1,2-diamine.

Molecular Properties

Compound Name2-N-ethylbenzimidazole-1,2-diamine
PubChem CID45078021
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-N-ethylbenzimidazole-1,2-diamine
SMILESCCNc1nc2ccccc2n1N
InChIInChI=1S/C9H12N4/c1-2-11-9-12-7-5-3-4-6-8(7)13(9)10/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeyBLLADJXNRYOKDG-UHFFFAOYSA-N
XLogP1.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568
methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359524
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one
CID 82359609
1-amino-3-propylquinoxalin-2-one
CID 123596583
2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid
CID 82359608
butan-2-yl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359536
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517
2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
CID 82359757
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867

Frequently Asked Questions

What is the IUPAC name of 2-N-ethylbenzimidazole-1,2-diamine?
The IUPAC name of 2-N-ethylbenzimidazole-1,2-diamine (CID 45078021) is 2-N-ethylbenzimidazole-1,2-diamine.
What is the SMILES notation for 2-N-ethylbenzimidazole-1,2-diamine?
The canonical SMILES for 2-N-ethylbenzimidazole-1,2-diamine is CCNc1nc2ccccc2n1N.
What is the InChIKey of 2-N-ethylbenzimidazole-1,2-diamine?
The InChIKey is BLLADJXNRYOKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-11-9-12-7-5-3-4-6-8(7)13(9)10/h3-6H,2,10H2,1H3,(H,11,12).
What are the key properties of 2-N-ethylbenzimidazole-1,2-diamine?
2-N-ethylbenzimidazole-1,2-diamine has a molecular weight of 176.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethylbenzimidazole-1,2-diamine is sourced from PubChem (CID 45078021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).