2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide

C29H33ClN4O4 — CID 70134950

IUPAC2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide
SMILESCOc1ccccc1Cn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(OC)c2Cl)nc2cnccc21
InChIInChI=1S/C29H33ClN4O4/c1-19(2)13-15-33(29(35)21-10-11-25(37-4)28(38-5)27(21)30)18-26-32-22-16-31-14-12-23(22)34(26)17-20-8-6-7-9-24(20)36-3/h6-12,14,16,19H,13,15,17-18H2,1-5H3
InChIKeyPOLFQPJKAJOJTG-UHFFFAOYSA-N
MW537.06 g/mol
LogP5.85
Rot. Bonds11

About 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide

2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide (PubChem CID 70134950) has the molecular formula C29H33ClN4O4 and a molecular weight of 537.06 g/mol. Its IUPAC name is 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide
PubChem CID70134950
Molecular FormulaC29H33ClN4O4
Molecular Weight537.06 g/mol
Exact Mass536.22
IUPAC Name2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide
SMILESCOc1ccccc1Cn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(OC)c2Cl)nc2cnccc21
InChIInChI=1S/C29H33ClN4O4/c1-19(2)13-15-33(29(35)21-10-11-25(37-4)28(38-5)27(21)30)18-26-32-22-16-31-14-12-23(22)34(26)17-20-8-6-7-9-24(20)36-3/h6-12,14,16,19H,13,15,17-18H2,1-5H3
InChIKeyPOLFQPJKAJOJTG-UHFFFAOYSA-N
XLogP5.85
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.06
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[[2-[[(2-chloro-3,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]benzimidazol-1-yl]methyl]phenoxy]acetate
CID 70135430
2-chloro-N-[[1-[[2-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70135413
2-chloro-N-[[4,5-dimethyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 10163844
[3-[[2-[[(2-chloro-3,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]benzimidazol-1-yl]methyl]phenyl] methanesulfonate
CID 18684969
2-[2-[[2-[[(2-chloro-3,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-4,5-dimethylimidazol-1-yl]methyl]phenoxy]acetic acid
CID 10281081
N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 10301806
2-chloro-3,4-dimethoxy-N-(3-methylbutyl)-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18684971
N-[[1-[(5-bromo-2-hydroxyphenyl)methyl]-4,5-dimethylimidazol-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 23555795
2-chloro-N-[[4-[(2-cyanophenyl)methyl]-1,5-dimethylimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70249366
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
2-chloro-N-[[4-[(2-fluorophenyl)methyl]-1H-benzimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70114780
2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide
CID 10144233

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide (CID 70134950) is 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide is COc1ccccc1Cn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(OC)c2Cl)nc2cnccc21.
What is the InChIKey of 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
The InChIKey is POLFQPJKAJOJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4O4/c1-19(2)13-15-33(29(35)21-10-11-25(37-4)28(38-5)27(21)30)18-26-32-22-16-31-14-12-23(22)34(26)17-20-8-6-7-9-24(20)36-3/h6-12,14,16,19H,13,15,17-18H2,1-5H3.
What are the key properties of 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide has a molecular weight of 537.06 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 70134950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).