2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

C27H35ClN4O3 — CID 16972001

IUPAC2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(C(C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C27H35ClN4O3/c1-18(2)14-31(15-19(3)4)26(34)16-32-24-9-7-6-8-23(24)30-27(32)20(5)29-25(33)17-35-22-12-10-21(28)11-13-22/h6-13,18-20H,14-17H2,1-5H3,(H,29,33)
InChIKeyCPKSTURTYSMASK-UHFFFAOYSA-N
MW499.06 g/mol
LogP5.09
Rot. Bonds11

About 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 16972001) has the molecular formula C27H35ClN4O3 and a molecular weight of 499.06 g/mol. Its IUPAC name is 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID16972001
Molecular FormulaC27H35ClN4O3
Molecular Weight499.06 g/mol
Exact Mass498.24
IUPAC Name2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(C(C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C27H35ClN4O3/c1-18(2)14-31(15-19(3)4)26(34)16-32-24-9-7-6-8-23(24)30-27(32)20(5)29-25(33)17-35-22-12-10-21(28)11-13-22/h6-13,18-20H,14-17H2,1-5H3,(H,29,33)
InChIKeyCPKSTURTYSMASK-UHFFFAOYSA-N
XLogP5.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.06
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide with MolForge

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Related Compounds

N-benzyl-2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N-methylacetamide
CID 16972008
2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16971996
2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716
2-(4-chlorophenoxy)-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971935
N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971721
N-[1-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970234
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968787
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968171
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972817
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16969282
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 16972001) is 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)Cn1c(C(C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is CPKSTURTYSMASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O3/c1-18(2)14-31(15-19(3)4)26(34)16-32-24-9-7-6-8-23(24)30-27(32)20(5)29-25(33)17-35-22-12-10-21(28)11-13-22/h6-13,18-20H,14-17H2,1-5H3,(H,29,33).
What are the key properties of 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 499.06 g/mol, XLogP of 5.09, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 16972001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).