2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide

C28H30N4O3 — CID 651152

IUPAC2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(Cc1ccco1)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C28H30N4O3/c33-26(19-31-20-29-24-15-7-8-16-25(24)31)32(18-23-14-9-17-35-23)27(21-10-3-1-4-11-21)28(34)30-22-12-5-2-6-13-22/h1,3-4,7-11,14-17,20,22,27H,2,5-6,12-13,18-19H2,(H,30,34)
InChIKeyIERFCUSVWRZGIK-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.85
Rot. Bonds8

About 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide

2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide (PubChem CID 651152) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide
PubChem CID651152
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(Cc1ccco1)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C28H30N4O3/c33-26(19-31-20-29-24-15-7-8-16-25(24)31)32(18-23-14-9-17-35-23)27(21-10-3-1-4-11-21)28(34)30-22-12-5-2-6-13-22/h1,3-4,7-11,14-17,20,22,27H,2,5-6,12-13,18-19H2,(H,30,34)
InChIKeyIERFCUSVWRZGIK-UHFFFAOYSA-N
XLogP4.85
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide?
The IUPAC name of 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide (CID 651152) is 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide?
The canonical SMILES for 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide is O=C(NC1CCCCC1)C(c1ccccc1)N(Cc1ccco1)C(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide?
The InChIKey is IERFCUSVWRZGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c33-26(19-31-20-29-24-15-7-8-16-25(24)31)32(18-23-14-9-17-35-23)27(21-10-3-1-4-11-21)28(34)30-22-12-5-2-6-13-22/h1,3-4,7-11,14-17,20,22,27H,2,5-6,12-13,18-19H2,(H,30,34).
What are the key properties of 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide?
2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide has a molecular weight of 470.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzimidazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide is sourced from PubChem (CID 651152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).