1-propan-2-ylbenzimidazole-2,4-diamine

C10H14N4 — CID 84771598

IUPAC1-propan-2-ylbenzimidazole-2,4-diamine
SMILESCC(C)n1c(N)nc2c(N)cccc21
InChIInChI=1S/C10H14N4/c1-6(2)14-8-5-3-4-7(11)9(8)13-10(14)12/h3-6H,11H2,1-2H3,(H2,12,13)
InChIKeyQXIBSDLDSFXXOB-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.78
Rot. Bonds1

About 1-propan-2-ylbenzimidazole-2,4-diamine

1-propan-2-ylbenzimidazole-2,4-diamine (PubChem CID 84771598) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole-2,4-diamine.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole-2,4-diamine
PubChem CID84771598
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-propan-2-ylbenzimidazole-2,4-diamine
SMILESCC(C)n1c(N)nc2c(N)cccc21
InChIInChI=1S/C10H14N4/c1-6(2)14-8-5-3-4-7(11)9(8)13-10(14)12/h3-6H,11H2,1-2H3,(H2,12,13)
InChIKeyQXIBSDLDSFXXOB-UHFFFAOYSA-N
XLogP1.78
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.78
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

2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
CID 84777995
2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
CID 82067863
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62947060
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
CID 104836966
1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine
CID 104829021
methyl 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propanoate
CID 82067547
2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 54950785
4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113477819
ethyl 2-(4-amino-2-methylbenzimidazol-1-yl)butanoate
CID 82067094
2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate
CID 82067218

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole-2,4-diamine?
The IUPAC name of 1-propan-2-ylbenzimidazole-2,4-diamine (CID 84771598) is 1-propan-2-ylbenzimidazole-2,4-diamine.
What is the SMILES notation for 1-propan-2-ylbenzimidazole-2,4-diamine?
The canonical SMILES for 1-propan-2-ylbenzimidazole-2,4-diamine is CC(C)n1c(N)nc2c(N)cccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole-2,4-diamine?
The InChIKey is QXIBSDLDSFXXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-6(2)14-8-5-3-4-7(11)9(8)13-10(14)12/h3-6H,11H2,1-2H3,(H2,12,13).
What are the key properties of 1-propan-2-ylbenzimidazole-2,4-diamine?
1-propan-2-ylbenzimidazole-2,4-diamine has a molecular weight of 190.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole-2,4-diamine is sourced from PubChem (CID 84771598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).