2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

C20H19ClN6O — CID 118736120

IUPAC2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc2nc(CCNC(=O)c3ccc(-n4cncn4)cc3Cl)[nH]c2cc1C
InChIInChI=1S/C20H19ClN6O/c1-12-7-17-18(8-13(12)2)26-19(25-17)5-6-23-20(28)15-4-3-14(9-16(15)21)27-11-22-10-24-27/h3-4,7-11H,5-6H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyMGGCEYHSLVFKDF-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.39
Rot. Bonds5

About 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 118736120) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID118736120
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc2nc(CCNC(=O)c3ccc(-n4cncn4)cc3Cl)[nH]c2cc1C
InChIInChI=1S/C20H19ClN6O/c1-12-7-17-18(8-13(12)2)26-19(25-17)5-6-23-20(28)15-4-3-14(9-16(15)21)27-11-22-10-24-27/h3-4,7-11H,5-6H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyMGGCEYHSLVFKDF-UHFFFAOYSA-N
XLogP3.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide with MolForge

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Related Compounds

2-chloro-N-[(2S)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 118736139
2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
CID 121399226
2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 119394617
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 59018410
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 118786104
2-methyl-3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoic acid
CID 119237737
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 77078873
2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 121407242
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide
CID 46952044
(2R)-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125178751
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 46975099
2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 58074713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 118736120) is 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc2nc(CCNC(=O)c3ccc(-n4cncn4)cc3Cl)[nH]c2cc1C.
What is the InChIKey of 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is MGGCEYHSLVFKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-12-7-17-18(8-13(12)2)26-19(25-17)5-6-23-20(28)15-4-3-14(9-16(15)21)27-11-22-10-24-27/h3-4,7-11H,5-6H2,1-2H3,(H,23,28)(H,25,26).
What are the key properties of 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 394.87 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 118736120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).