N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide

C14H8BrCl2N3O — CID 107792772

IUPACN-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1Cl)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H8BrCl2N3O/c15-8-2-4-10(13(17)12(8)16)20-14(21)7-1-3-9-11(5-7)19-6-18-9/h1-6H,(H,18,19)(H,20,21)
InChIKeyMGXAJTCCMWLNPS-UHFFFAOYSA-N
MW385.05 g/mol
LogP4.88
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide

N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 107792772) has the molecular formula C14H8BrCl2N3O and a molecular weight of 385.05 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID107792772
Molecular FormulaC14H8BrCl2N3O
Molecular Weight385.05 g/mol
Exact Mass382.92
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1Cl)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H8BrCl2N3O/c15-8-2-4-10(13(17)12(8)16)20-14(21)7-1-3-9-11(5-7)19-6-18-9/h1-6H,(H,18,19)(H,20,21)
InChIKeyMGXAJTCCMWLNPS-UHFFFAOYSA-N
XLogP4.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.05
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
CID 61261029
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 43582883
4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
CID 24702726
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 107602612
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide (CID 107792772) is N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1Cl)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is MGXAJTCCMWLNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N3O/c15-8-2-4-10(13(17)12(8)16)20-14(21)7-1-3-9-11(5-7)19-6-18-9/h1-6H,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 385.05 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 107792772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).