N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide

C19H14Cl3N5O — CID 70897110

IUPACN-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1=CCC2N=C(Nc3c(Cl)cccc3Cl)NC2=C1
InChIInChI=1S/C19H14Cl3N5O/c20-11-5-7-16(23-9-11)26-18(28)10-4-6-14-15(8-10)25-19(24-14)27-17-12(21)2-1-3-13(17)22/h1-5,7-9,14H,6H2,(H,23,26,28)(H2,24,25,27)
InChIKeyUMVAIJBWDDBWFN-UHFFFAOYSA-N
MW434.71 g/mol
LogP4.63
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide

N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide (PubChem CID 70897110) has the molecular formula C19H14Cl3N5O and a molecular weight of 434.71 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide
PubChem CID70897110
Molecular FormulaC19H14Cl3N5O
Molecular Weight434.71 g/mol
Exact Mass433.03
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1=CCC2N=C(Nc3c(Cl)cccc3Cl)NC2=C1
InChIInChI=1S/C19H14Cl3N5O/c20-11-5-7-16(23-9-11)26-18(28)10-4-6-14-15(8-10)25-19(24-14)27-17-12(21)2-1-3-13(17)22/h1-5,7-9,14H,6H2,(H,23,26,28)(H2,24,25,27)
InChIKeyUMVAIJBWDDBWFN-UHFFFAOYSA-N
XLogP4.63
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.71
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide
CID 70897205
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2,6-dichloro-N'-(5-chloro-2-pyridinyl)benzohydrazide
CID 134102994
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
N-(5-chloro-2-pyridinyl)-1H-pyrazole-4-carboxamide
CID 43583033
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide (CID 70897110) is N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(Cl)cn1)C1=CCC2N=C(Nc3c(Cl)cccc3Cl)NC2=C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide?
The InChIKey is UMVAIJBWDDBWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N5O/c20-11-5-7-16(23-9-11)26-18(28)10-4-6-14-15(8-10)25-19(24-14)27-17-12(21)2-1-3-13(17)22/h1-5,7-9,14H,6H2,(H,23,26,28)(H2,24,25,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide?
N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide has a molecular weight of 434.71 g/mol, XLogP of 4.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-7,7a-dihydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70897110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).