1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine

C20H20N6 — CID 71859490

IUPAC1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine
SMILESCc1ncc(CNCc2ccnc(-n3ccnc3)c2)n1-c1ccccc1
InChIInChI=1S/C20H20N6/c1-16-24-14-19(26(16)18-5-3-2-4-6-18)13-22-12-17-7-8-23-20(11-17)25-10-9-21-15-25/h2-11,14-15,22H,12-13H2,1H3
InChIKeyBUTZQJCXNVWKEG-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.05
Rot. Bonds6

About 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine

1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine (PubChem CID 71859490) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine
PubChem CID71859490
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine
SMILESCc1ncc(CNCc2ccnc(-n3ccnc3)c2)n1-c1ccccc1
InChIInChI=1S/C20H20N6/c1-16-24-14-19(26(16)18-5-3-2-4-6-18)13-22-12-17-7-8-23-20(11-17)25-10-9-21-15-25/h2-11,14-15,22H,12-13H2,1H3
InChIKeyBUTZQJCXNVWKEG-UHFFFAOYSA-N
XLogP3.05
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine (CID 71859490) is 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine is Cc1ncc(CNCc2ccnc(-n3ccnc3)c2)n1-c1ccccc1.
What is the InChIKey of 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine?
The InChIKey is BUTZQJCXNVWKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-16-24-14-19(26(16)18-5-3-2-4-6-18)13-22-12-17-7-8-23-20(11-17)25-10-9-21-15-25/h2-11,14-15,22H,12-13H2,1H3.
What are the key properties of 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine?
1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine has a molecular weight of 344.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 71859490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).