N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide

C19H12Cl3N5O — CID 143659641

IUPACN-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide
SMILESCc1cc2[nH]c(-c3c(Cl)cccc3Cl)nc2cc1C(=O)Nc1ncc(Cl)cn1
InChIInChI=1S/C19H12Cl3N5O/c1-9-5-14-15(26-17(25-14)16-12(21)3-2-4-13(16)22)6-11(9)18(28)27-19-23-7-10(20)8-24-19/h2-8H,1H3,(H,25,26)(H,23,24,27,28)
InChIKeyDOSVLBATRAIHDJ-UHFFFAOYSA-N
MW432.70 g/mol
LogP5.54
Rot. Bonds3

About N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide

N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide (PubChem CID 143659641) has the molecular formula C19H12Cl3N5O and a molecular weight of 432.70 g/mol. Its IUPAC name is N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide
PubChem CID143659641
Molecular FormulaC19H12Cl3N5O
Molecular Weight432.70 g/mol
Exact Mass431.01
IUPAC NameN-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide
SMILESCc1cc2[nH]c(-c3c(Cl)cccc3Cl)nc2cc1C(=O)Nc1ncc(Cl)cn1
InChIInChI=1S/C19H12Cl3N5O/c1-9-5-14-15(26-17(25-14)16-12(21)3-2-4-13(16)22)6-11(9)18(28)27-19-23-7-10(20)8-24-19/h2-8H,1H3,(H,25,26)(H,23,24,27,28)
InChIKeyDOSVLBATRAIHDJ-UHFFFAOYSA-N
XLogP5.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156336
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
CID 143659620
N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide
CID 58562458
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
CID 25066170
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965604

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide (CID 143659641) is N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide is Cc1cc2[nH]c(-c3c(Cl)cccc3Cl)nc2cc1C(=O)Nc1ncc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide?
The InChIKey is DOSVLBATRAIHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N5O/c1-9-5-14-15(26-17(25-14)16-12(21)3-2-4-13(16)22)6-11(9)18(28)27-19-23-7-10(20)8-24-19/h2-8H,1H3,(H,25,26)(H,23,24,27,28).
What are the key properties of N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide?
N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide has a molecular weight of 432.70 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 143659641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).