1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine

C17H20N4 — CID 103385548

IUPAC1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
SMILESCC(C)c1ccc(CNc2nccc3c2ncn3C)cc1
InChIInChI=1S/C17H20N4/c1-12(2)14-6-4-13(5-7-14)10-19-17-16-15(8-9-18-17)21(3)11-20-16/h4-9,11-12H,10H2,1-3H3,(H,18,19)
InChIKeyVMXCPAACPXLNIG-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.70
Rot. Bonds4

About 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine

1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine (PubChem CID 103385548) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
PubChem CID103385548
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
SMILESCC(C)c1ccc(CNc2nccc3c2ncn3C)cc1
InChIInChI=1S/C17H20N4/c1-12(2)14-6-4-13(5-7-14)10-19-17-16-15(8-9-18-17)21(3)11-20-16/h4-9,11-12H,10H2,1-3H3,(H,18,19)
InChIKeyVMXCPAACPXLNIG-UHFFFAOYSA-N
XLogP3.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 103385596
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385715
1-methyl-N-(2-methylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385588
N-(3-methoxy-2-methylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385555
1-methyl-N-(2-phenylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385789
3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine
CID 103386011
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385628
1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385824
1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine
CID 114169666
2-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]-1-phenylethanol
CID 103385395
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385595

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine (CID 103385548) is 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine is CC(C)c1ccc(CNc2nccc3c2ncn3C)cc1.
What is the InChIKey of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine?
The InChIKey is VMXCPAACPXLNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(2)14-6-4-13(5-7-14)10-19-17-16-15(8-9-18-17)21(3)11-20-16/h4-9,11-12H,10H2,1-3H3,(H,18,19).
What are the key properties of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine?
1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine has a molecular weight of 280.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103385548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).