1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide

C24H28N4O2 — CID 49046964

IUPAC1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CCCCC1
InChIInChI=1S/C24H28N4O2/c1-18(29)27-24(13-5-2-6-14-24)23(30)25-15-19-9-11-20(12-10-19)16-28-17-26-21-7-3-4-8-22(21)28/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,25,30)(H,27,29)
InChIKeySSJPGAAMEGFLFT-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.54
Rot. Bonds6

About 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide

1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 49046964) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID49046964
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CCCCC1
InChIInChI=1S/C24H28N4O2/c1-18(29)27-24(13-5-2-6-14-24)23(30)25-15-19-9-11-20(12-10-19)16-28-17-26-21-7-3-4-8-22(21)28/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,25,30)(H,27,29)
InChIKeySSJPGAAMEGFLFT-UHFFFAOYSA-N
XLogP3.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 55972310
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
CID 110957833
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 48962748
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60604713
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide
CID 49046843
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862872
(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 129468678

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 49046964) is 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CCCCC1.
What is the InChIKey of 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is SSJPGAAMEGFLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18(29)27-24(13-5-2-6-14-24)23(30)25-15-19-9-11-20(12-10-19)16-28-17-26-21-7-3-4-8-22(21)28/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,25,30)(H,27,29).
What are the key properties of 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 49046964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).