1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

C22H20N4O3 — CID 3594824

IUPAC1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)c1
InChIInChI=1S/C22H20N4O3/c1-28-17-6-8-21(29-2)20(11-17)26-14-25-18-10-16(5-7-19(18)26)22(27)24-13-15-4-3-9-23-12-15/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyKNZJLLDBHXOUIB-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.37
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 3594824) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
PubChem CID3594824
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)c1
InChIInChI=1S/C22H20N4O3/c1-28-17-6-8-21(29-2)20(11-17)26-14-25-18-10-16(5-7-19(18)26)22(27)24-13-15-4-3-9-23-12-15/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyKNZJLLDBHXOUIB-UHFFFAOYSA-N
XLogP3.37
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037364
4-({2-[(cyclohexylmethyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040925
1-Methyl-2-[3-(trifluoromethyl)phenylamino]-5-[2-(methylcarbamoyl)-4-pyridinyloxy]-1H-benzoimidazole
CID 22040941
N-methyl-4-[(2-{methyl[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041171
4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22041319
N-methyl-4-[(2-{methyl[3-(pyridin-4-yl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 25137960
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
8-Oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
CID 139593670
4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040436
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
N-Cycloheptyl-1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 4287729
1-(2,5-dimethoxyphenyl)-1H-benzimidazole-5-carboxylic acid
CID 3239142

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (CID 3594824) is 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is COc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is KNZJLLDBHXOUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-17-6-8-21(29-2)20(11-17)26-14-25-18-10-16(5-7-19(18)26)22(27)24-13-15-4-3-9-23-12-15/h3-12,14H,13H2,1-2H3,(H,24,27).
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3594824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).