N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide

C14H9Cl2N3O — CID 873710

IUPACN-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-9-6-5-8(7-10(9)16)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
InChIKeyXTCYKXYLOUABIM-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.12
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide

N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide (PubChem CID 873710) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide
PubChem CID873710
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC NameN-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-9-6-5-8(7-10(9)16)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
InChIKeyXTCYKXYLOUABIM-UHFFFAOYSA-N
XLogP4.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-Benzimidazol-2-YL)-3-chlorobenzamide
CID 898010
N-(1H-benzimidazol-2-yl)-4-chlorobenzamide
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2-(1H-Benzoimidazol-2-yl)-1-(4-chloro-phenyl)-ethanone
CID 4982645
N-(1-adamantyl)-2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 11215102
US9738640, Example 1
CID 90479835
N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
CID 2081457
4-chloro-N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 493035
N-(4chlorophenethyl)-1H-benzo[d]imidazole-5-carboxamide
CID 2098715
N-(1H-benzimidazol-2-yl)-4-methylbenzamide
CID 2162753
N-(1H-benzimidazol-2-yl)-4-fluorobenzamide
CID 2583534
N-(1H-benzimidazol-2-yl)-2-phenylacetamide
CID 2583589
2-(3,4-Dichlorophenyl)-1H-benzimidazole
CID 49831

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide (CID 873710) is N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide?
The InChIKey is XTCYKXYLOUABIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-6-5-8(7-10(9)16)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide?
N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide has a molecular weight of 306.15 g/mol, XLogP of 4.12, 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)-3,4-dichlorobenzamide is sourced from PubChem (CID 873710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).