4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide

C23H20N4O2 — CID 39964592

IUPAC4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-16(28)24-14-17-6-8-18(9-7-17)23(29)26-19-10-12-20(13-11-19)27-15-25-21-4-2-3-5-22(21)27/h2-13,15H,14H2,1H3,(H,24,28)(H,26,29)
InChIKeyJTKYXHAYRNKBFL-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.91
Rot. Bonds5

About 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide

4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide (PubChem CID 39964592) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
PubChem CID39964592
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-16(28)24-14-17-6-8-18(9-7-17)23(29)26-19-10-12-20(13-11-19)27-15-25-21-4-2-3-5-22(21)27/h2-13,15H,14H2,1H3,(H,24,28)(H,26,29)
InChIKeyJTKYXHAYRNKBFL-UHFFFAOYSA-N
XLogP3.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
CID 86822181
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
CID 169434130
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
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CID 17479709

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide (CID 39964592) is 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide is CC(=O)NCc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide?
The InChIKey is JTKYXHAYRNKBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16(28)24-14-17-6-8-18(9-7-17)23(29)26-19-10-12-20(13-11-19)27-15-25-21-4-2-3-5-22(21)27/h2-13,15H,14H2,1H3,(H,24,28)(H,26,29).
What are the key properties of 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide?
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 39964592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).