N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide

C32H31N3O2 — CID 53383223

IUPACN-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(C(C(=O)NC(C)(C)C)n2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C32H31N3O2/c1-32(2,3)34-31(36)29(24-18-20-26(37-4)21-19-24)35-28-13-9-8-12-27(28)33-30(35)25-16-14-23(15-17-25)22-10-6-5-7-11-22/h5-21,29H,1-4H3,(H,34,36)
InChIKeyKVMMNBQBOYGCQZ-UHFFFAOYSA-N
MW489.62 g/mol
LogP6.88
Rot. Bonds6

About N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide

N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide (PubChem CID 53383223) has the molecular formula C32H31N3O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide
PubChem CID53383223
Molecular FormulaC32H31N3O2
Molecular Weight489.62 g/mol
Exact Mass489.24
IUPAC NameN-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(C(C(=O)NC(C)(C)C)n2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C32H31N3O2/c1-32(2,3)34-31(36)29(24-18-20-26(37-4)21-19-24)35-28-13-9-8-12-27(28)33-30(35)25-16-14-23(15-17-25)22-10-6-5-7-11-22/h5-21,29H,1-4H3,(H,34,36)
InChIKeyKVMMNBQBOYGCQZ-UHFFFAOYSA-N
XLogP6.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide (CID 53383223) is N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide is COc1ccc(C(C(=O)NC(C)(C)C)n2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is KVMMNBQBOYGCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O2/c1-32(2,3)34-31(36)29(24-18-20-26(37-4)21-19-24)35-28-13-9-8-12-27(28)33-30(35)25-16-14-23(15-17-25)22-10-6-5-7-11-22/h5-21,29H,1-4H3,(H,34,36).
What are the key properties of N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide?
N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 489.62 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methoxyphenyl)-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 53383223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).