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

CID 1511
CID 1511
CID 393989
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CID 1367095
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CID 10423087
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CID 44565645
CID 44565645
CID 929513
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CID 2081294
CID 2081294
CID 9953922
CID 9953922
CID 11257801
CID 11257801
CID 674471
CID 674471
CID 2583265
CID 2583265
CID 2583506
CID 2583506

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).