1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine

C33H33N7 — CID 91018154

IUPAC1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine
SMILESCn1cc(CN(Cc2cn(C)c(-c3ccccc3)n2)Cc2cn(C)c(-c3ccccc3)n2)nc1-c1ccccc1
InChIInChI=1S/C33H33N7/c1-37-19-28(34-31(37)25-13-7-4-8-14-25)22-40(23-29-20-38(2)32(35-29)26-15-9-5-10-16-26)24-30-21-39(3)33(36-30)27-17-11-6-12-18-27/h4-21H,22-24H2,1-3H3
InChIKeyPEZKJWLZZMILDR-UHFFFAOYSA-N
MW527.68 g/mol
LogP6.09
Rot. Bonds9

About 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine

1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine (PubChem CID 91018154) has the molecular formula C33H33N7 and a molecular weight of 527.68 g/mol. Its IUPAC name is 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine
PubChem CID91018154
Molecular FormulaC33H33N7
Molecular Weight527.68 g/mol
Exact Mass527.28
IUPAC Name1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine
SMILESCn1cc(CN(Cc2cn(C)c(-c3ccccc3)n2)Cc2cn(C)c(-c3ccccc3)n2)nc1-c1ccccc1
InChIInChI=1S/C33H33N7/c1-37-19-28(34-31(37)25-13-7-4-8-14-25)22-40(23-29-20-38(2)32(35-29)26-15-9-5-10-16-26)24-30-21-39(3)33(36-30)27-17-11-6-12-18-27/h4-21H,22-24H2,1-3H3
InChIKeyPEZKJWLZZMILDR-UHFFFAOYSA-N
XLogP6.09
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.68
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-benzimidazol-2-amine
CID 1253120
2-Phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 765511
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
CID 54755363
2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline
CID 71203905
4-Methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
CID 71543930
5-[2-[4-[[4-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]phenyl]-2H-tetrazole bromide
CID 71652853
Dipotassium;5-[2-[4-[[4-butyl-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;bromide
CID 71653304
1,2-Diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682165

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine (CID 91018154) is 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine is Cn1cc(CN(Cc2cn(C)c(-c3ccccc3)n2)Cc2cn(C)c(-c3ccccc3)n2)nc1-c1ccccc1.
What is the InChIKey of 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine?
The InChIKey is PEZKJWLZZMILDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N7/c1-37-19-28(34-31(37)25-13-7-4-8-14-25)22-40(23-29-20-38(2)32(35-29)26-15-9-5-10-16-26)24-30-21-39(3)33(36-30)27-17-11-6-12-18-27/h4-21H,22-24H2,1-3H3.
What are the key properties of 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine?
1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine has a molecular weight of 527.68 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-phenylimidazol-4-yl)-N,N-bis[(1-methyl-2-phenylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 91018154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).