N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide

C22H19N3O3 — CID 17497689

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C22H19N3O3/c1-27-19-12-11-14(13-20(19)28-2)22(26)25-16-8-4-3-7-15(16)21-23-17-9-5-6-10-18(17)24-21/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyAJAGJAFZVXOIKP-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.50
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 17497689) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID17497689
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C22H19N3O3/c1-27-19-12-11-14(13-20(19)28-2)22(26)25-16-8-4-3-7-15(16)21-23-17-9-5-6-10-18(17)24-21/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyAJAGJAFZVXOIKP-UHFFFAOYSA-N
XLogP4.50
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
CID 1511
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
Sant-2
CID 1367095
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 44565645
3,4,5-trimethoxy-N-(1-methyl-1H-benzimidazol-5-yl)benzamide
CID 929513
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2032313
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
2-[3-methoxy-4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 9953922
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(4-methoxy-phenyl)-acrylamide
CID 674471
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)benzamide
CID 2583265

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide (CID 17497689) is N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is AJAGJAFZVXOIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-19-12-11-14(13-20(19)28-2)22(26)25-16-8-4-3-7-15(16)21-23-17-9-5-6-10-18(17)24-21/h3-13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 373.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 17497689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).