5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one

C24H29ClN6O2 — CID 123779073

IUPAC5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one
SMILESCn1c(=O)n(CC2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C24H29ClN6O2/c1-28-21-15-19(25)7-8-20(21)31(24(28)33)16-17-3-5-18(6-4-17)22(32)29-11-13-30(14-12-29)23-26-9-2-10-27-23/h2,7-10,15,17-18H,3-6,11-14,16H2,1H3
InChIKeyORVWPRXPTJCGSB-UHFFFAOYSA-N
MW468.99 g/mol
LogP2.94
Rot. Bonds4

About 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one

5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one (PubChem CID 123779073) has the molecular formula C24H29ClN6O2 and a molecular weight of 468.99 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one
PubChem CID123779073
Molecular FormulaC24H29ClN6O2
Molecular Weight468.99 g/mol
Exact Mass468.20
IUPAC Name5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one
SMILESCn1c(=O)n(CC2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C24H29ClN6O2/c1-28-21-15-19(25)7-8-20(21)31(24(28)33)16-17-3-5-18(6-4-17)22(32)29-11-13-30(14-12-29)23-26-9-2-10-27-23/h2,7-10,15,17-18H,3-6,11-14,16H2,1H3
InChIKeyORVWPRXPTJCGSB-UHFFFAOYSA-N
XLogP2.94
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one with MolForge

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Related Compounds

1-methyl-3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
CID 123770507
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide
CID 123890001
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17417053
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 47058492
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride
CID 45284327
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
(2R)-2-(2,5-dichlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42561175
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one?
The IUPAC name of 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one (CID 123779073) is 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one is Cn1c(=O)n(CC2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one?
The InChIKey is ORVWPRXPTJCGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O2/c1-28-21-15-19(25)7-8-20(21)31(24(28)33)16-17-3-5-18(6-4-17)22(32)29-11-13-30(14-12-29)23-26-9-2-10-27-23/h2,7-10,15,17-18H,3-6,11-14,16H2,1H3.
What are the key properties of 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one?
5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one has a molecular weight of 468.99 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one is sourced from PubChem (CID 123779073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).