1-N-propan-2-ylbenzimidazole-1,5-diamine

C10H14N4 — CID 141134927

IUPAC1-N-propan-2-ylbenzimidazole-1,5-diamine
SMILESCC(C)Nn1cnc2cc(N)ccc21
InChIInChI=1S/C10H14N4/c1-7(2)13-14-6-12-9-5-8(11)3-4-10(9)14/h3-7,13H,11H2,1-2H3
InChIKeyCHETXTOBHJLIQY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.57
Rot. Bonds2

About 1-N-propan-2-ylbenzimidazole-1,5-diamine

1-N-propan-2-ylbenzimidazole-1,5-diamine (PubChem CID 141134927) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-N-propan-2-ylbenzimidazole-1,5-diamine.

Molecular Properties

Compound Name1-N-propan-2-ylbenzimidazole-1,5-diamine
PubChem CID141134927
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-N-propan-2-ylbenzimidazole-1,5-diamine
SMILESCC(C)Nn1cnc2cc(N)ccc21
InChIInChI=1S/C10H14N4/c1-7(2)13-14-6-12-9-5-8(11)3-4-10(9)14/h3-7,13H,11H2,1-2H3
InChIKeyCHETXTOBHJLIQY-UHFFFAOYSA-N
XLogP1.57
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.57
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-[(1S)-1-phenylethyl]benzimidazol-5-amine
CID 687989
1-methylsulfonylbenzimidazol-5-amine
CID 134294706
1-(2-methylpentan-3-yl)benzimidazol-5-amine
CID 62506261
1-N-methylbenzimidazole-1,6-diamine
CID 141134926
1-(3-methylpentan-2-yl)benzimidazol-5-amine
CID 62506740
4-(5-aminobenzimidazol-1-yl)butan-2-ol
CID 64912560
methyl 2-(5-aminobenzimidazol-1-yl)-3-methylbutanoate
CID 62508395
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine
CID 114251461
1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491
1-(1-trimethylsilylethoxymethyl)benzimidazol-5-amine
CID 18375891
1-(7-methyloctyl)benzimidazol-5-amine
CID 107818163

Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-ylbenzimidazole-1,5-diamine?
The IUPAC name of 1-N-propan-2-ylbenzimidazole-1,5-diamine (CID 141134927) is 1-N-propan-2-ylbenzimidazole-1,5-diamine.
What is the SMILES notation for 1-N-propan-2-ylbenzimidazole-1,5-diamine?
The canonical SMILES for 1-N-propan-2-ylbenzimidazole-1,5-diamine is CC(C)Nn1cnc2cc(N)ccc21.
What is the InChIKey of 1-N-propan-2-ylbenzimidazole-1,5-diamine?
The InChIKey is CHETXTOBHJLIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7(2)13-14-6-12-9-5-8(11)3-4-10(9)14/h3-7,13H,11H2,1-2H3.
What are the key properties of 1-N-propan-2-ylbenzimidazole-1,5-diamine?
1-N-propan-2-ylbenzimidazole-1,5-diamine has a molecular weight of 190.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-ylbenzimidazole-1,5-diamine is sourced from PubChem (CID 141134927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).