2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide

C22H25ClN4O3 — CID 78773101

IUPAC2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C(N)=O
InChIInChI=1S/C22H25ClN4O3/c1-3-14(2)21(22(24)29)26-20(28)12-27-18-7-5-4-6-17(18)25-19(27)13-30-16-10-8-15(23)9-11-16/h4-11,14,21H,3,12-13H2,1-2H3,(H2,24,29)(H,26,28)
InChIKeyZDLWANQEWMXWJM-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.28
Rot. Bonds9

About 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide

2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide (PubChem CID 78773101) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
PubChem CID78773101
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C(N)=O
InChIInChI=1S/C22H25ClN4O3/c1-3-14(2)21(22(24)29)26-20(28)12-27-18-7-5-4-6-17(18)25-19(27)13-30-16-10-8-15(23)9-11-16/h4-11,14,21H,3,12-13H2,1-2H3,(H2,24,29)(H,26,28)
InChIKeyZDLWANQEWMXWJM-UHFFFAOYSA-N
XLogP3.28
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
propan-2-yl 3-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]propanoate
CID 78839395
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 112759773
(2S,3S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194002
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119586379
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-3-ylmethyl)acetamide
CID 112843170
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4234057

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide (CID 78773101) is 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide is CCC(C)C(NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C(N)=O.
What is the InChIKey of 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide?
The InChIKey is ZDLWANQEWMXWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-3-14(2)21(22(24)29)26-20(28)12-27-18-7-5-4-6-17(18)25-19(27)13-30-16-10-8-15(23)9-11-16/h4-11,14,21H,3,12-13H2,1-2H3,(H2,24,29)(H,26,28).
What are the key properties of 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide?
2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide has a molecular weight of 428.92 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide is sourced from PubChem (CID 78773101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).