N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide

C24H22Cl2N6O2 — CID 146488066

IUPACN-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide
SMILES[H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccc(Cl)c(Cl)n2)cc(-c2cccc(OC)n2)c1
InChIInChI=1S/C24H22Cl2N6O2/c1-31-8-9-32(24(31)27)14-15-10-16(20-4-3-5-21(30-20)34-2)12-17(11-15)23(33)28-13-18-6-7-19(25)22(26)29-18/h3-12,27H,13-14H2,1-2H3,(H,28,33)/b27-24+
InChIKeyTUZXHFVKFFOLPH-SOYKGTTHSA-N
MW497.39 g/mol
LogP4.06
Rot. Bonds7

About N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide

N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide (PubChem CID 146488066) has the molecular formula C24H22Cl2N6O2 and a molecular weight of 497.39 g/mol. Its IUPAC name is N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide
PubChem CID146488066
Molecular FormulaC24H22Cl2N6O2
Molecular Weight497.39 g/mol
Exact Mass496.12
IUPAC NameN-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide
SMILES[H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccc(Cl)c(Cl)n2)cc(-c2cccc(OC)n2)c1
InChIInChI=1S/C24H22Cl2N6O2/c1-31-8-9-32(24(31)27)14-15-10-16(20-4-3-5-21(30-20)34-2)12-17(11-15)23(33)28-13-18-6-7-19(25)22(26)29-18/h3-12,27H,13-14H2,1-2H3,(H,28,33)/b27-24+
InChIKeyTUZXHFVKFFOLPH-SOYKGTTHSA-N
XLogP4.06
TPSA97.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-3-methylphenyl)methyl]-3-(2,4-difluoro-6-methylphenyl)-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide
CID 146457786
3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide
CID 146456394
N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide
CID 146456123
3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide
CID 154795745
N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138041888
N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide
CID 146370941
N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide
CID 58103248
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-ethylbenzamide
CID 58103445
2-[(6-methoxy-2-pyridinyl)methylamino]oxyacetamide
CID 112673964
methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
CID 66857367
methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate
CID 171697651
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide?
The IUPAC name of N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide (CID 146488066) is N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide is [H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccc(Cl)c(Cl)n2)cc(-c2cccc(OC)n2)c1.
What is the InChIKey of N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide?
The InChIKey is TUZXHFVKFFOLPH-SOYKGTTHSA-N. The full InChI is InChI=1S/C24H22Cl2N6O2/c1-31-8-9-32(24(31)27)14-15-10-16(20-4-3-5-21(30-20)34-2)12-17(11-15)23(33)28-13-18-6-7-19(25)22(26)29-18/h3-12,27H,13-14H2,1-2H3,(H,28,33)/b27-24+.
What are the key properties of N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide?
N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide has a molecular weight of 497.39 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dichloro-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(6-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 146488066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).