2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide

C29H32ClN3O3 — CID 16989812

IUPAC2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCCOc1ccccc1OCCn1c(CCCCCNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C29H32ClN3O3/c1-2-35-26-16-9-10-17-27(26)36-21-20-33-25-15-8-7-14-24(25)32-28(33)18-4-3-11-19-31-29(34)22-12-5-6-13-23(22)30/h5-10,12-17H,2-4,11,18-21H2,1H3,(H,31,34)
InChIKeyDLOHGXVPCPJHKH-UHFFFAOYSA-N
MW506.05 g/mol
LogP6.31
Rot. Bonds13

About 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide

2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989812) has the molecular formula C29H32ClN3O3 and a molecular weight of 506.05 g/mol. Its IUPAC name is 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16989812
Molecular FormulaC29H32ClN3O3
Molecular Weight506.05 g/mol
Exact Mass505.21
IUPAC Name2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCCOc1ccccc1OCCn1c(CCCCCNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C29H32ClN3O3/c1-2-35-26-16-9-10-17-27(26)36-21-20-33-25-15-8-7-14-24(25)32-28(33)18-4-3-11-19-31-29(34)22-12-5-6-13-23(22)30/h5-10,12-17H,2-4,11,18-21H2,1H3,(H,31,34)
InChIKeyDLOHGXVPCPJHKH-UHFFFAOYSA-N
XLogP6.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.05
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982726
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988030
2-(4-chlorophenyl)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993862
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
4-chloro-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984607
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992404
2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993214
4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991435
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993701
2-chloro-N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989812) is 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide is CCOc1ccccc1OCCn1c(CCCCCNC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is DLOHGXVPCPJHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O3/c1-2-35-26-16-9-10-17-27(26)36-21-20-33-25-15-8-7-14-24(25)32-28(33)18-4-3-11-19-31-29(34)22-12-5-6-13-23(22)30/h5-10,12-17H,2-4,11,18-21H2,1H3,(H,31,34).
What are the key properties of 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide?
2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 506.05 g/mol, XLogP of 6.31, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).