N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide

C16H13BrClN3O — CID 60509453

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H13BrClN3O/c1-9(15-20-13-4-2-3-5-14(13)21-15)19-16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyQEARRHAUPQDQEV-UHFFFAOYSA-N
MW378.66 g/mol
LogP4.47
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide (PubChem CID 60509453) has the molecular formula C16H13BrClN3O and a molecular weight of 378.66 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
PubChem CID60509453
Molecular FormulaC16H13BrClN3O
Molecular Weight378.66 g/mol
Exact Mass376.99
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H13BrClN3O/c1-9(15-20-13-4-2-3-5-14(13)21-15)19-16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyQEARRHAUPQDQEV-UHFFFAOYSA-N
XLogP4.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 2327988
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-6-fluorobenzamide
CID 60592461
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)-2-fluorobenzamide
CID 75387783

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide (CID 60509453) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide is CC(NC(=O)c1ccc(Br)cc1Cl)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide?
The InChIKey is QEARRHAUPQDQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O/c1-9(15-20-13-4-2-3-5-14(13)21-15)19-16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide has a molecular weight of 378.66 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide is sourced from PubChem (CID 60509453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).