1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide

C21H21N5O — CID 11537765

IUPAC1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CNC(=O)c2nccn2C)cc1
InChIInChI=1S/C21H21N5O/c1-14-4-7-16(8-5-14)19-17(26-13-15(2)6-9-18(26)24-19)12-23-21(27)20-22-10-11-25(20)3/h4-11,13H,12H2,1-3H3,(H,23,27)
InChIKeyBWLPSJCXJOBBAO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.28
Rot. Bonds4

About 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide

1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide (PubChem CID 11537765) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide
PubChem CID11537765
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CNC(=O)c2nccn2C)cc1
InChIInChI=1S/C21H21N5O/c1-14-4-7-16(8-5-14)19-17(26-13-15(2)6-9-18(26)24-19)12-23-21(27)20-22-10-11-25(20)3/h4-11,13H,12H2,1-3H3,(H,23,27)
InChIKeyBWLPSJCXJOBBAO-UHFFFAOYSA-N
XLogP3.28
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide (CID 11537765) is 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide is Cc1ccc(-c2nc3ccc(C)cn3c2CNC(=O)c2nccn2C)cc1.
What is the InChIKey of 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide?
The InChIKey is BWLPSJCXJOBBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-4-7-16(8-5-14)19-17(26-13-15(2)6-9-18(26)24-19)12-23-21(27)20-22-10-11-25(20)3/h4-11,13H,12H2,1-3H3,(H,23,27).
What are the key properties of 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide?
1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazole-2-carboxamide is sourced from PubChem (CID 11537765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).