N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine

C15H17N5 — CID 56702338

IUPACN-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(-n2ccnc2)cc1)Cc1ncc[nH]1
InChIInChI=1S/C15H17N5/c1-19(11-15-17-6-7-18-15)10-13-2-4-14(5-3-13)20-9-8-16-12-20/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyULZQOUKQNBKRKQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.23
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine

N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine (PubChem CID 56702338) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine
PubChem CID56702338
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(-n2ccnc2)cc1)Cc1ncc[nH]1
InChIInChI=1S/C15H17N5/c1-19(11-15-17-6-7-18-15)10-13-2-4-14(5-3-13)20-9-8-16-12-20/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyULZQOUKQNBKRKQ-UHFFFAOYSA-N
XLogP2.23
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine (CID 56702338) is N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine is CN(Cc1ccc(-n2ccnc2)cc1)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine?
The InChIKey is ULZQOUKQNBKRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19(11-15-17-6-7-18-15)10-13-2-4-14(5-3-13)20-9-8-16-12-20/h2-9,12H,10-11H2,1H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine?
N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 56702338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).