2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide

C25H21N5O — CID 44530742

IUPAC2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)Cc5cnc[nH]5)cc4)c3)nc12
InChIInChI=1S/C25H21N5O/c1-16-4-2-7-22-24(16)30-25(29-22)19-6-3-5-18(12-19)17-8-10-20(11-9-17)28-23(31)13-21-14-26-15-27-21/h2-12,14-15H,13H2,1H3,(H,26,27)(H,28,31)(H,29,30)
InChIKeyHTVLMKNFBDZZNO-UHFFFAOYSA-N
MW407.48 g/mol
LogP5.11
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide

2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide (PubChem CID 44530742) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide
PubChem CID44530742
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)Cc5cnc[nH]5)cc4)c3)nc12
InChIInChI=1S/C25H21N5O/c1-16-4-2-7-22-24(16)30-25(29-22)19-6-3-5-18(12-19)17-8-10-20(11-9-17)28-23(31)13-21-14-26-15-27-21/h2-12,14-15H,13H2,1H3,(H,26,27)(H,28,31)(H,29,30)
InChIKeyHTVLMKNFBDZZNO-UHFFFAOYSA-N
XLogP5.11
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide (CID 44530742) is 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide is Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)Cc5cnc[nH]5)cc4)c3)nc12.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide?
The InChIKey is HTVLMKNFBDZZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-16-4-2-7-22-24(16)30-25(29-22)19-6-3-5-18(12-19)17-8-10-20(11-9-17)28-23(31)13-21-14-26-15-27-21/h2-12,14-15H,13H2,1H3,(H,26,27)(H,28,31)(H,29,30).
What are the key properties of 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide?
2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide has a molecular weight of 407.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 44530742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).