2-(1H-benzimidazol-2-yl)-N-benzylbenzamide

C21H17N3O — CID 2787566

IUPAC2-(1H-benzimidazol-2-yl)-N-benzylbenzamide
SMILESO=C(NCc1ccccc1)c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H17N3O/c25-21(22-14-15-8-2-1-3-9-15)17-11-5-4-10-16(17)20-23-18-12-6-7-13-19(18)24-20/h1-13H,14H2,(H,22,25)(H,23,24)
InChIKeyWPBLDVUCHRORRC-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.16
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide

2-(1H-benzimidazol-2-yl)-N-benzylbenzamide (PubChem CID 2787566) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-benzylbenzamide
PubChem CID2787566
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-(1H-benzimidazol-2-yl)-N-benzylbenzamide
SMILESO=C(NCc1ccccc1)c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H17N3O/c25-21(22-14-15-8-2-1-3-9-15)17-11-5-4-10-16(17)20-23-18-12-6-7-13-19(18)24-20/h1-13H,14H2,(H,22,25)(H,23,24)
InChIKeyWPBLDVUCHRORRC-UHFFFAOYSA-N
XLogP4.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 11960529
CID 11960529
CID 40320
CID 40320
CID 11961293
CID 11961293
CID 118480924
CID 118480924
CID 9925908
CID 9925908
CID 5494425
CID 5494425
CID 11675244
CID 11675244
CID 135402853
CID 135402853
CID 780674
CID 780674
CID 872071
CID 872071
CID 45480520
CID 45480520
CID 682223
CID 682223

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide (CID 2787566) is 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide is O=C(NCc1ccccc1)c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide?
The InChIKey is WPBLDVUCHRORRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-21(22-14-15-8-2-1-3-9-15)17-11-5-4-10-16(17)20-23-18-12-6-7-13-19(18)24-20/h1-13H,14H2,(H,22,25)(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide?
2-(1H-benzimidazol-2-yl)-N-benzylbenzamide has a molecular weight of 327.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-benzylbenzamide is sourced from PubChem (CID 2787566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).