N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide

C20H13BrCl2N4O — CID 45138811

IUPACN-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C20H13BrCl2N4O/c21-12-3-1-4-13(10-12)24-19(28)11-7-8-16-17(9-11)26-20(25-16)27-18-14(22)5-2-6-15(18)23/h1-10H,(H,24,28)(H2,25,26,27)
InChIKeyYFYSTRLLQDEGOX-UHFFFAOYSA-N
MW476.16 g/mol
LogP6.63
Rot. Bonds4

About N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide

N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide (PubChem CID 45138811) has the molecular formula C20H13BrCl2N4O and a molecular weight of 476.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
PubChem CID45138811
Molecular FormulaC20H13BrCl2N4O
Molecular Weight476.16 g/mol
Exact Mass473.96
IUPAC NameN-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C20H13BrCl2N4O/c21-12-3-1-4-13(10-12)24-19(28)11-7-8-16-17(9-11)26-20(25-16)27-18-14(22)5-2-6-15(18)23/h1-10H,(H,24,28)(H2,25,26,27)
InChIKeyYFYSTRLLQDEGOX-UHFFFAOYSA-N
XLogP6.63
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.16
LogP ≤ 56.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
2-(2,6-dichloroanilino)-N-(6,7-dihydro-1H-benzimidazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 90736029
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 45137009
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
CID 143961942
N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 123886991
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 45137916
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide
CID 67231867

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide (CID 45138811) is N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide is O=C(Nc1cccc(Br)c1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide?
The InChIKey is YFYSTRLLQDEGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrCl2N4O/c21-12-3-1-4-13(10-12)24-19(28)11-7-8-16-17(9-11)26-20(25-16)27-18-14(22)5-2-6-15(18)23/h1-10H,(H,24,28)(H2,25,26,27).
What are the key properties of N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide?
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide has a molecular weight of 476.16 g/mol, XLogP of 6.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 45138811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).