1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine

C17H23N5 — CID 131921133

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc3c(c2)nc(C)n3C)n(C)c1C
InChIInChI=1S/C17H23N5/c1-11-12(2)21(4)17(19-11)10-18-9-14-6-7-16-15(8-14)20-13(3)22(16)5/h6-8,18H,9-10H2,1-5H3
InChIKeyJBIFZYNZKLDJSI-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.52
Rot. Bonds4

About 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine

1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine (PubChem CID 131921133) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
PubChem CID131921133
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc3c(c2)nc(C)n3C)n(C)c1C
InChIInChI=1S/C17H23N5/c1-11-12(2)21(4)17(19-11)10-18-9-14-6-7-16-15(8-14)20-13(3)22(16)5/h6-8,18H,9-10H2,1-5H3
InChIKeyJBIFZYNZKLDJSI-UHFFFAOYSA-N
XLogP2.52
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine 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

1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
CID 115135940
3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115135338
2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115130198
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine
CID 95419153
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine
CID 131931893
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine (CID 131921133) is 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine is Cc1nc(CNCc2ccc3c(c2)nc(C)n3C)n(C)c1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
The InChIKey is JBIFZYNZKLDJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-11-12(2)21(4)17(19-11)10-18-9-14-6-7-16-15(8-14)20-13(3)22(16)5/h6-8,18H,9-10H2,1-5H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine has a molecular weight of 297.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 131921133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).