2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide

C35H36N4O — CID 91172603

IUPAC2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(C(c2ccccn2)n2cnc3ccccc32)cc1)C1CCCCCC1
InChIInChI=1S/C35H36N4O/c40-35(37-24-26-12-4-3-5-13-26)33(27-14-6-1-2-7-15-27)28-19-21-29(22-20-28)34(31-17-10-11-23-36-31)39-25-38-30-16-8-9-18-32(30)39/h3-5,8-13,16-23,25,27,33-34H,1-2,6-7,14-15,24H2,(H,37,40)
InChIKeyHGEOZYWPVZCZEY-UHFFFAOYSA-N
MW528.70 g/mol
LogP7.44
Rot. Bonds8

About 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide

2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide (PubChem CID 91172603) has the molecular formula C35H36N4O and a molecular weight of 528.70 g/mol. Its IUPAC name is 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide
PubChem CID91172603
Molecular FormulaC35H36N4O
Molecular Weight528.70 g/mol
Exact Mass528.29
IUPAC Name2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(C(c2ccccn2)n2cnc3ccccc32)cc1)C1CCCCCC1
InChIInChI=1S/C35H36N4O/c40-35(37-24-26-12-4-3-5-13-26)33(27-14-6-1-2-7-15-27)28-19-21-29(22-20-28)34(31-17-10-11-23-36-31)39-25-38-30-16-8-9-18-32(30)39/h3-5,8-13,16-23,25,27,33-34H,1-2,6-7,14-15,24H2,(H,37,40)
InChIKeyHGEOZYWPVZCZEY-UHFFFAOYSA-N
XLogP7.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid
CID 91555772
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 26344967
(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 125444165
2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 122567382
methyl 6-[[2-(benzimidazol-1-yl)-2-cyclohexylacetyl]amino]hexanoate
CID 141193427
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
CID 68902944
2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-[4-(pyrimido[4,5-b]indol-9-ylmethyl)phenyl]acetamide
CID 142034957
N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 68747470

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide?
The IUPAC name of 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide (CID 91172603) is 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide.
What is the SMILES notation for 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide?
The canonical SMILES for 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide is O=C(NCc1ccccc1)C(c1ccc(C(c2ccccn2)n2cnc3ccccc32)cc1)C1CCCCCC1.
What is the InChIKey of 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide?
The InChIKey is HGEOZYWPVZCZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4O/c40-35(37-24-26-12-4-3-5-13-26)33(27-14-6-1-2-7-15-27)28-19-21-29(22-20-28)34(31-17-10-11-23-36-31)39-25-38-30-16-8-9-18-32(30)39/h3-5,8-13,16-23,25,27,33-34H,1-2,6-7,14-15,24H2,(H,37,40).
What are the key properties of 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide?
2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide has a molecular weight of 528.70 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide is sourced from PubChem (CID 91172603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).