1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine

C25H23N5 — CID 78870397

IUPAC1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine
SMILESc1cc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc(Cn2ccnc2)c1
InChIInChI=1S/C25H23N5/c1-2-7-25-24(6-1)28-19-30(25)23-10-8-20(9-11-23)15-27-16-21-4-3-5-22(14-21)17-29-13-12-26-18-29/h1-14,18-19,27H,15-17H2
InChIKeyHYNQDTKXTGKWSO-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.56
Rot. Bonds7

About 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine

1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine (PubChem CID 78870397) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine
PubChem CID78870397
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine
SMILESc1cc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc(Cn2ccnc2)c1
InChIInChI=1S/C25H23N5/c1-2-7-25-24(6-1)28-19-30(25)23-10-8-20(9-11-23)15-27-16-21-4-3-5-22(14-21)17-29-13-12-26-18-29/h1-14,18-19,27H,15-17H2
InChIKeyHYNQDTKXTGKWSO-UHFFFAOYSA-N
XLogP4.56
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine with MolForge

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Related Compounds

5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol
CID 111448746
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
3-[[[4-(benzimidazol-1-yl)phenyl]methylamino]methyl]thiolan-3-ol
CID 111629711
1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47615231
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 78895508
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 166402905
N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 166203692
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
1-[(4-chlorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine
CID 111131939
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
N-[[4-(benzimidazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 43282216
3-(imidazol-1-ylmethyl)benzaldehyde
CID 10397537

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine (CID 78870397) is 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine is c1cc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc(Cn2ccnc2)c1.
What is the InChIKey of 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine?
The InChIKey is HYNQDTKXTGKWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-2-7-25-24(6-1)28-19-30(25)23-10-8-20(9-11-23)15-27-16-21-4-3-5-22(14-21)17-29-13-12-26-18-29/h1-14,18-19,27H,15-17H2.
What are the key properties of 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine?
1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine has a molecular weight of 393.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 78870397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).