2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine

C15H16N4 — CID 91927564

IUPAC2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
SMILESCCn1c(Nc2ccccc2N)nc2ccccc21
InChIInChI=1S/C15H16N4/c1-2-19-14-10-6-5-9-13(14)18-15(19)17-12-8-4-3-7-11(12)16/h3-10H,2,16H2,1H3,(H,17,18)
InChIKeyVDPJFPUGLULMMM-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.38
Rot. Bonds3

About 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine

2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine (PubChem CID 91927564) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
PubChem CID91927564
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
SMILESCCn1c(Nc2ccccc2N)nc2ccccc21
InChIInChI=1S/C15H16N4/c1-2-19-14-10-6-5-9-13(14)18-15(19)17-12-8-4-3-7-11(12)16/h3-10H,2,16H2,1H3,(H,17,18)
InChIKeyVDPJFPUGLULMMM-UHFFFAOYSA-N
XLogP3.38
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine
CID 69272336
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158
1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
CID 4697787
2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348
2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine (CID 91927564) is 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine is CCn1c(Nc2ccccc2N)nc2ccccc21.
What is the InChIKey of 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine?
The InChIKey is VDPJFPUGLULMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-19-14-10-6-5-9-13(14)18-15(19)17-12-8-4-3-7-11(12)16/h3-10H,2,16H2,1H3,(H,17,18).
What are the key properties of 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine?
2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 91927564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).