N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide

C27H28N4O2 — CID 118709778

IUPACN-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)c1cccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C27H28N4O2/c1-19(2)21-11-8-12-22(17-21)29-26(32)18-31-24-14-7-6-13-23(24)30-25(31)15-16-28-27(33)20-9-4-3-5-10-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyLZBOJGGSPYCUKN-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.77
Rot. Bonds8

About N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 118709778) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID118709778
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)c1cccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C27H28N4O2/c1-19(2)21-11-8-12-22(17-21)29-26(32)18-31-24-14-7-6-13-23(24)30-25(31)15-16-28-27(33)20-9-4-3-5-10-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyLZBOJGGSPYCUKN-UHFFFAOYSA-N
XLogP4.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 118709778) is N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide is CC(C)c1cccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is LZBOJGGSPYCUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19(2)21-11-8-12-22(17-21)29-26(32)18-31-24-14-7-6-13-23(24)30-25(31)15-16-28-27(33)20-9-4-3-5-10-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 440.55 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 118709778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).