N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide

C22H19N3O — CID 969400

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C22H19N3O/c1-14-10-15(2)12-17(11-14)22(26)23-18-7-5-6-16(13-18)21-24-19-8-3-4-9-20(19)25-21/h3-13H,1-2H3,(H,23,26)(H,24,25)
InChIKeyOQOSZPCXMBOSNQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.10
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide (PubChem CID 969400) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
PubChem CID969400
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C22H19N3O/c1-14-10-15(2)12-17(11-14)22(26)23-18-7-5-6-16(13-18)21-24-19-8-3-4-9-20(19)25-21/h3-13H,1-2H3,(H,23,26)(H,24,25)
InChIKeyOQOSZPCXMBOSNQ-UHFFFAOYSA-N
XLogP5.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108445
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide
CID 44530614

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide (CID 969400) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide?
The InChIKey is OQOSZPCXMBOSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-14-10-15(2)12-17(11-14)22(26)23-18-7-5-6-16(13-18)21-24-19-8-3-4-9-20(19)25-21/h3-13H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 969400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).