cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone

C23H29N5O — CID 118674355

IUPACcyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H29N5O/c29-23(18-5-1-2-6-18)27-10-3-4-17(9-11-27)15-28-16-24-21-12-19(7-8-22(21)28)20-13-25-26-14-20/h7-8,12-14,16-18H,1-6,9-11,15H2,(H,25,26)
InChIKeyQQTTUUSLJIICPV-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.25
Rot. Bonds4

About cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone

cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone (PubChem CID 118674355) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone
PubChem CID118674355
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Namecyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H29N5O/c29-23(18-5-1-2-6-18)27-10-3-4-17(9-11-27)15-28-16-24-21-12-19(7-8-22(21)28)20-13-25-26-14-20/h7-8,12-14,16-18H,1-6,9-11,15H2,(H,25,26)
InChIKeyQQTTUUSLJIICPV-UHFFFAOYSA-N
XLogP4.25
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[(4S)-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone
CID 130434277
1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole
CID 118682973
2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 118682900
cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 157083586
cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 169094718
[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 118682966
1-[[(3S,5R)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole
CID 118674389
2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
CID 118674393
cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one
CID 158611608
3-(4-fluorophenyl)-1-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118685294
1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683173
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944705

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone (CID 118674355) is cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone is O=C(C1CCCC1)N1CCCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone?
The InChIKey is QQTTUUSLJIICPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c29-23(18-5-1-2-6-18)27-10-3-4-17(9-11-27)15-28-16-24-21-12-19(7-8-22(21)28)20-13-25-26-14-20/h7-8,12-14,16-18H,1-6,9-11,15H2,(H,25,26).
What are the key properties of cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone?
cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone is sourced from PubChem (CID 118674355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).