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

C21H17N3O2 — CID 2810335

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-17-11-9-14(10-12-17)21(25)22-16-6-4-5-15(13-16)20-23-18-7-2-3-8-19(18)24-20/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyJPVZXDNGPVCEIB-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.49
Rot. Bonds4

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide (PubChem CID 2810335) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
PubChem CID2810335
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-17-11-9-14(10-12-17)21(25)22-16-6-4-5-15(13-16)20-23-18-7-2-3-8-19(18)24-20/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyJPVZXDNGPVCEIB-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide (CID 2810335) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide?
The InChIKey is JPVZXDNGPVCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-17-11-9-14(10-12-17)21(25)22-16-6-4-5-15(13-16)20-23-18-7-2-3-8-19(18)24-20/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-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-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 2810335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).