2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

C16H19ClN6O2 — CID 131922218

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCOCCn1cnnc1C(C)NC(=O)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H19ClN6O2/c1-10(16-22-18-9-23(16)5-6-25-2)19-15(24)8-14-20-12-4-3-11(17)7-13(12)21-14/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyNBBUGUHKMCMTNJ-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.87
Rot. Bonds7

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (PubChem CID 131922218) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
PubChem CID131922218
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCOCCn1cnnc1C(C)NC(=O)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H19ClN6O2/c1-10(16-22-18-9-23(16)5-6-25-2)19-15(24)8-14-20-12-4-3-11(17)7-13(12)21-14/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyNBBUGUHKMCMTNJ-UHFFFAOYSA-N
XLogP1.87
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 125177563
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
5-methoxy-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methylindole-2-carboxamide
CID 97122642
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99958080
2-(6-chloro-1H-benzimidazol-2-yl)-N-(1-pyridin-4-ylpropyl)acetamide
CID 77096483
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99954928
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 131948284
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 125165323
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
CID 131893501
5-ethyl-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178761

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (CID 131922218) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is COCCn1cnnc1C(C)NC(=O)Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The InChIKey is NBBUGUHKMCMTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2/c1-10(16-22-18-9-23(16)5-6-25-2)19-15(24)8-14-20-12-4-3-11(17)7-13(12)21-14/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide has a molecular weight of 362.82 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 131922218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).