1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine

C17H22N6 — CID 70734697

IUPAC1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H22N6/c1-14(2)23-13-19-20-17(23)11-21(3)10-15-4-6-16(7-5-15)22-9-8-18-12-22/h4-9,12-14H,10-11H2,1-3H3
InChIKeyXRAUCCNJFGPBPL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.68
Rot. Bonds6

About 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine

1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 70734697) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID70734697
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H22N6/c1-14(2)23-13-19-20-17(23)11-21(3)10-15-4-6-16(7-5-15)22-9-8-18-12-22/h4-9,12-14H,10-11H2,1-3H3
InChIKeyXRAUCCNJFGPBPL-UHFFFAOYSA-N
XLogP2.68
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (CID 70734697) is 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is CC(C)n1cnnc1CN(C)Cc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is XRAUCCNJFGPBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-14(2)23-13-19-20-17(23)11-21(3)10-15-4-6-16(7-5-15)22-9-8-18-12-22/h4-9,12-14H,10-11H2,1-3H3.
What are the key properties of 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 310.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 70734697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).