2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine

C26H23N5O — CID 71448863

IUPAC2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine
SMILESCn1c(NCc2ccccc2)nc2cnc(Nc3cccc(Oc4ccccc4)c3)cc21
InChIInChI=1S/C26H23N5O/c1-31-24-16-25(27-18-23(24)30-26(31)28-17-19-9-4-2-5-10-19)29-20-11-8-14-22(15-20)32-21-12-6-3-7-13-21/h2-16,18H,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyBZQFHWOFAHWYCB-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.12
Rot. Bonds7

About 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine

2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 71448863) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine
PubChem CID71448863
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine
SMILESCn1c(NCc2ccccc2)nc2cnc(Nc3cccc(Oc4ccccc4)c3)cc21
InChIInChI=1S/C26H23N5O/c1-31-24-16-25(27-18-23(24)30-26(31)28-17-19-9-4-2-5-10-19)29-20-11-8-14-22(15-20)32-21-12-6-3-7-13-21/h2-16,18H,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyBZQFHWOFAHWYCB-UHFFFAOYSA-N
XLogP6.12
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
CID 155543613
2-N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]methyl]-3-methyl-5-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-2,5-diamine
CID 118859300
N-methyl-4-[1-methyl-2-(3-phenylmethoxyanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040628
2-N-[[4-(4-chloroisoquinolin-1-yl)oxyphenyl]methyl]-3-methyl-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine
CID 118859369
5-(4-fluorophenoxy)-N-[3-(phenoxymethyl)phenyl]pyridin-2-amine
CID 59588925
5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327777
3-methyl-2-N-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]benzimidazole-2,5-diamine
CID 118858431
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
2-[[2-[[4-(4-chlorophenoxy)phenyl]methylamino]-3-methylbenzimidazol-5-yl]amino]acetonitrile
CID 129228098
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine
CID 58442794
2-N-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]-3-methyl-5-N-(1H-pyrazol-5-yl)benzimidazole-2,5-diamine
CID 129228526

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine?
The IUPAC name of 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine (CID 71448863) is 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine?
The canonical SMILES for 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine is Cn1c(NCc2ccccc2)nc2cnc(Nc3cccc(Oc4ccccc4)c3)cc21.
What is the InChIKey of 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine?
The InChIKey is BZQFHWOFAHWYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-31-24-16-25(27-18-23(24)30-26(31)28-17-19-9-4-2-5-10-19)29-20-11-8-14-22(15-20)32-21-12-6-3-7-13-21/h2-16,18H,17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine?
2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine has a molecular weight of 421.50 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-methyl-6-N-(3-phenoxyphenyl)imidazo[4,5-c]pyridine-2,6-diamine is sourced from PubChem (CID 71448863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).