1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one

C28H30N4O3 — CID 24960852

IUPAC1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one
SMILESCOc1ccc(-c2cnc(-n3c(=O)n(C4CCCC4)c4ccccc43)nc2)cc1OC1CCCC1
InChIInChI=1S/C28H30N4O3/c1-34-25-15-14-19(16-26(25)35-22-10-4-5-11-22)20-17-29-27(30-18-20)32-24-13-7-6-12-23(24)31(28(32)33)21-8-2-3-9-21/h6-7,12-18,21-22H,2-5,8-11H2,1H3
InChIKeyZKVWHVGTQAHVSJ-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.69
Rot. Bonds6

About 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one

1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one (PubChem CID 24960852) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one
PubChem CID24960852
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one
SMILESCOc1ccc(-c2cnc(-n3c(=O)n(C4CCCC4)c4ccccc43)nc2)cc1OC1CCCC1
InChIInChI=1S/C28H30N4O3/c1-34-25-15-14-19(16-26(25)35-22-10-4-5-11-22)20-17-29-27(30-18-20)32-24-13-7-6-12-23(24)31(28(32)33)21-8-2-3-9-21/h6-7,12-18,21-22H,2-5,8-11H2,1H3
InChIKeyZKVWHVGTQAHVSJ-UHFFFAOYSA-N
XLogP5.69
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]-2-oxobenzimidazole-1-carboxylic acid
CID 69127514
3-[5-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridinyl]-N-heptyl-2-oxobenzimidazole-1-carboxamide
CID 24962317
4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one
CID 25133793
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091
3-cycloheptyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one
CID 122386180
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
(4aS,8aR)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 57290076
4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 139664304
4-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroimidazol-2-one
CID 54226291

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one?
The IUPAC name of 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one (CID 24960852) is 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one?
The canonical SMILES for 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one is COc1ccc(-c2cnc(-n3c(=O)n(C4CCCC4)c4ccccc43)nc2)cc1OC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one?
The InChIKey is ZKVWHVGTQAHVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-34-25-15-14-19(16-26(25)35-22-10-4-5-11-22)20-17-29-27(30-18-20)32-24-13-7-6-12-23(24)31(28(32)33)21-8-2-3-9-21/h6-7,12-18,21-22H,2-5,8-11H2,1H3.
What are the key properties of 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one?
1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one has a molecular weight of 470.57 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one is sourced from PubChem (CID 24960852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).