N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide

C21H17N3O2 — CID 742047

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H17N3O2/c1-26-15-8-6-7-14(13-15)21(25)24-17-10-3-2-9-16(17)20-22-18-11-4-5-12-19(18)23-20/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyRUUNPPDJWQDWNK-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.49
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide (PubChem CID 742047) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
PubChem CID742047
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H17N3O2/c1-26-15-8-6-7-14(13-15)21(25)24-17-10-3-2-9-16(17)20-22-18-11-4-5-12-19(18)23-20/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyRUUNPPDJWQDWNK-UHFFFAOYSA-N
XLogP4.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 5159784
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
CID 739930
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
CID 59679963
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methoxybenzamide
CID 52896518
4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 5019834
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 5168409
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide (CID 742047) is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide?
The InChIKey is RUUNPPDJWQDWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-15-8-6-7-14(13-15)21(25)24-17-10-3-2-9-16(17)20-22-18-11-4-5-12-19(18)23-20/h2-13H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide has a molecular weight of 343.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 742047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).