2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide

C27H35ClN4O2 — CID 16979546

About 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979546) has the molecular formula C27H35ClN4O2 and a molecular weight of 483.06 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16979546
• Molecular Formula: C27H35ClN4O2
• Molecular Weight: 483.06 g/mol
• Exact Mass: 482.24
• IUPAC Name: 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: CCC(C)N(C(=O)Cn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21)C(C)CC
• InChI: InChI=1S/C27H35ClN4O2/c1-5-19(3)32(20(4)6-2)27(34)18-31-24-10-8-7-9-23(24)30-25(31)15-16-29-26(33)17-21-11-13-22(28)14-12-21/h7-14,19-20H,5-6,15-18H2,1-4H3,(H,29,33)
• InChIKey: KHWKEYUKHAYPAS-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.06
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979546) is 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide is CCC(C)N(C(=O)Cn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21)C(C)CC.

What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?

The InChIKey is KHWKEYUKHAYPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O2/c1-5-19(3)32(20(4)6-2)27(34)18-31-24-10-8-7-9-23(24)30-25(31)15-16-29-26(33)17-21-11-13-22(28)14-12-21/h7-14,19-20H,5-6,15-18H2,1-4H3,(H,29,33).

What are the key properties of 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?

2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 483.06 g/mol, XLogP of 5.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).