1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide

C18H18N4O2 — CID 75373342

IUPAC1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide
SMILESCc1ccccc1Oc1ccnc(CNC(=O)c2nccn2C)c1
InChIInChI=1S/C18H18N4O2/c1-13-5-3-4-6-16(13)24-15-7-8-19-14(11-15)12-21-18(23)17-20-9-10-22(17)2/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyDZJGVVRTFSSFBI-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.85
Rot. Bonds5

About 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide

1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide (PubChem CID 75373342) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide
PubChem CID75373342
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide
SMILESCc1ccccc1Oc1ccnc(CNC(=O)c2nccn2C)c1
InChIInChI=1S/C18H18N4O2/c1-13-5-3-4-6-16(13)24-15-7-8-19-14(11-15)12-21-18(23)17-20-9-10-22(17)2/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyDZJGVVRTFSSFBI-UHFFFAOYSA-N
XLogP2.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide (CID 75373342) is 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide is Cc1ccccc1Oc1ccnc(CNC(=O)c2nccn2C)c1.
What is the InChIKey of 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide?
The InChIKey is DZJGVVRTFSSFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-5-3-4-6-16(13)24-15-7-8-19-14(11-15)12-21-18(23)17-20-9-10-22(17)2/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide?
1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]imidazole-2-carboxamide is sourced from PubChem (CID 75373342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).