2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide

C20H22ClN3O2 — CID 16976156

IUPAC2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCCOCCn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-26-14-13-24-18-10-6-5-9-17(18)23-19(24)11-12-22-20(25)15-7-3-4-8-16(15)21/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyRECUEBVYPPKGCV-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.70
Rot. Bonds8

About 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide

2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976156) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16976156
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCCOCCn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-26-14-13-24-18-10-6-5-9-17(18)23-19(24)11-12-22-20(25)15-7-3-4-8-16(15)21/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyRECUEBVYPPKGCV-UHFFFAOYSA-N
XLogP3.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16974362
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977559
2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989812
2-chloro-N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976118
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982726
2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035
2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976138
2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide
CID 16976181
2-chloro-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982734
2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982739
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide (CID 16976156) is 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide is CCOCCn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is RECUEBVYPPKGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-26-14-13-24-18-10-6-5-9-17(18)23-19(24)11-12-22-20(25)15-7-3-4-8-16(15)21/h3-10H,2,11-14H2,1H3,(H,22,25).
What are the key properties of 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 371.87 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).