N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide

C14H9Cl2N3O — CID 18847542

IUPACN-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-1-3-11(13(9)16)19-14(20)8-4-5-10-12(6-8)18-7-17-10/h1-7H,(H,17,18)(H,19,20)
InChIKeyBTHFGEBZZWZMMS-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.12
Rot. Bonds2

About N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide

N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 18847542) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID18847542
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC NameN-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-1-3-11(13(9)16)19-14(20)8-4-5-10-12(6-8)18-7-17-10/h1-7H,(H,17,18)(H,19,20)
InChIKeyBTHFGEBZZWZMMS-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-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 107792772
N-(2,3-dichlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110864410
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732
N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
CID 61261029
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 43600970
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide (CID 18847542) is N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is BTHFGEBZZWZMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-2-1-3-11(13(9)16)19-14(20)8-4-5-10-12(6-8)18-7-17-10/h1-7H,(H,17,18)(H,19,20).
What are the key properties of N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide 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-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 18847542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).