N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide

C26H27N3O2 — CID 24748634

IUPACN-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCOc1ccc(-n2cnc3cc(N(Cc4ccc(C(C)C)cc4)C(C)=O)ccc32)cc1
InChIInChI=1S/C26H27N3O2/c1-18(2)21-7-5-20(6-8-21)16-28(19(3)30)23-11-14-26-25(15-23)27-17-29(26)22-9-12-24(31-4)13-10-22/h5-15,17-18H,16H2,1-4H3
InChIKeyXVVZOSKRTBLLBJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.71
Rot. Bonds6

About N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide

N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 24748634) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID24748634
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCOc1ccc(-n2cnc3cc(N(Cc4ccc(C(C)C)cc4)C(C)=O)ccc32)cc1
InChIInChI=1S/C26H27N3O2/c1-18(2)21-7-5-20(6-8-21)16-28(19(3)30)23-11-14-26-25(15-23)27-17-29(26)22-9-12-24(31-4)13-10-22/h5-15,17-18H,16H2,1-4H3
InChIKeyXVVZOSKRTBLLBJ-UHFFFAOYSA-N
XLogP5.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 24748634) is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide is COc1ccc(-n2cnc3cc(N(Cc4ccc(C(C)C)cc4)C(C)=O)ccc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is XVVZOSKRTBLLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18(2)21-7-5-20(6-8-21)16-28(19(3)30)23-11-14-26-25(15-23)27-17-29(26)22-9-12-24(31-4)13-10-22/h5-15,17-18H,16H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide?
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 24748634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).