N-(1H-benzimidazol-2-yl)-4-chlorobenzamide

C14H10ClN3O — CID 2094705

IUPACN-(1H-benzimidazol-2-yl)-4-chlorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,(H2,16,17,18,19)
InChIKeyCERLGXAGGNYXLC-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.47
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-4-chlorobenzamide

N-(1H-benzimidazol-2-yl)-4-chlorobenzamide (PubChem CID 2094705) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-chlorobenzamide
PubChem CID2094705
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC NameN-(1H-benzimidazol-2-yl)-4-chlorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,(H2,16,17,18,19)
InChIKeyCERLGXAGGNYXLC-UHFFFAOYSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-chlorobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-chlorobenzamide (CID 2094705) is N-(1H-benzimidazol-2-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-chlorobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-chlorobenzamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-chlorobenzamide?
The InChIKey is CERLGXAGGNYXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-chlorobenzamide?
N-(1H-benzimidazol-2-yl)-4-chlorobenzamide has a molecular weight of 271.71 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-chlorobenzamide is sourced from PubChem (CID 2094705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).