N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine

C21H22N6 — CID 56901972

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine
SMILESCN(Cc1cn(-c2ccccc2)nn1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H22N6/c1-25(15-19-16-27(24-23-19)20-10-6-3-7-11-20)17-21-22-12-13-26(21)14-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3
InChIKeyYNPVKXDHBAJYAL-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.14
Rot. Bonds7

About N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine (PubChem CID 56901972) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine
PubChem CID56901972
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine
SMILESCN(Cc1cn(-c2ccccc2)nn1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H22N6/c1-25(15-19-16-27(24-23-19)20-10-6-3-7-11-20)17-21-22-12-13-26(21)14-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3
InChIKeyYNPVKXDHBAJYAL-UHFFFAOYSA-N
XLogP3.14
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine (CID 56901972) is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine is CN(Cc1cn(-c2ccccc2)nn1)Cc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine?
The InChIKey is YNPVKXDHBAJYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-25(15-19-16-27(24-23-19)20-10-6-3-7-11-20)17-21-22-12-13-26(21)14-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine?
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine has a molecular weight of 358.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-(1-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 56901972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).