N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine

C23H21Cl3N6O — CID 143961942

IUPACN-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
SMILESNC1CCC1.O=C(Nc1cc(Cl)ccn1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C19H12Cl3N5O.C4H9N/c20-11-6-7-23-16(9-11)26-18(28)10-4-5-14-15(8-10)25-19(24-14)27-17-12(21)2-1-3-13(17)22;5-4-2-1-3-4/h1-9H,(H,23,26,28)(H2,24,25,27);4H,1-3,5H2
InChIKeyNNRGRWOPLKHHJS-UHFFFAOYSA-N
MW503.82 g/mol
LogP6.41
Rot. Bonds4

About N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine

N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine (PubChem CID 143961942) has the molecular formula C23H21Cl3N6O and a molecular weight of 503.82 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
PubChem CID143961942
Molecular FormulaC23H21Cl3N6O
Molecular Weight503.82 g/mol
Exact Mass502.08
IUPAC NameN-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
SMILESNC1CCC1.O=C(Nc1cc(Cl)ccn1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C19H12Cl3N5O.C4H9N/c20-11-6-7-23-16(9-11)26-18(28)10-4-5-14-15(8-10)25-19(24-14)27-17-12(21)2-1-3-13(17)22;5-4-2-1-3-4/h1-9H,(H,23,26,28)(H2,24,25,27);4H,1-3,5H2
InChIKeyNNRGRWOPLKHHJS-UHFFFAOYSA-N
XLogP6.41
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.82
LogP ≤ 56.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137822
2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 45137916
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
2-(2,6-dichloroanilino)-N-(6,7-dihydro-1H-benzimidazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 90736029
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide
CID 58562411
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 58562336
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232
2-(2,6-dichloroanilino)-6-fluoro-N-(1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1H-benzimidazole-5-carboxamide
CID 45137301

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine (CID 143961942) is N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine is NC1CCC1.O=C(Nc1cc(Cl)ccn1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine?
The InChIKey is NNRGRWOPLKHHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N5O.C4H9N/c20-11-6-7-23-16(9-11)26-18(28)10-4-5-14-15(8-10)25-19(24-14)27-17-12(21)2-1-3-13(17)22;5-4-2-1-3-4/h1-9H,(H,23,26,28)(H2,24,25,27);4H,1-3,5H2.
What are the key properties of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine?
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine has a molecular weight of 503.82 g/mol, XLogP of 6.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine is sourced from PubChem (CID 143961942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).