1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine

C14H22N4 — CID 115135940

IUPAC1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
SMILESCc1nc2cc(CNCC(C)(C)N)ccc2n1C
InChIInChI=1S/C14H22N4/c1-10-17-12-7-11(5-6-13(12)18(10)4)8-16-9-14(2,3)15/h5-7,16H,8-9,15H2,1-4H3
InChIKeyVSLSXBVFVLBYCH-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.71
Rot. Bonds4

About 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine

1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine (PubChem CID 115135940) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
PubChem CID115135940
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
SMILESCc1nc2cc(CNCC(C)(C)N)ccc2n1C
InChIInChI=1S/C14H22N4/c1-10-17-12-7-11(5-6-13(12)18(10)4)8-16-9-14(2,3)15/h5-7,16H,8-9,15H2,1-4H3
InChIKeyVSLSXBVFVLBYCH-UHFFFAOYSA-N
XLogP1.71
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-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

3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115135338
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
CID 131921133
2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]adamantane-1-carboxamide
CID 110785997
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115130198
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine (CID 115135940) is 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine is Cc1nc2cc(CNCC(C)(C)N)ccc2n1C.
What is the InChIKey of 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine?
The InChIKey is VSLSXBVFVLBYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-17-12-7-11(5-6-13(12)18(10)4)8-16-9-14(2,3)15/h5-7,16H,8-9,15H2,1-4H3.
What are the key properties of 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine?
1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115135940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).