(3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one

C27H26N4O2 — CID 95811889

IUPAC(3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)ncn3C)[C@H](Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C27H26N4O2/c1-29-14-15-31(26(32)21-12-13-24-23(16-21)28-18-30(24)2)25(27(29)33)17-20-10-6-7-11-22(20)19-8-4-3-5-9-19/h3-13,16,18,25H,14-15,17H2,1-2H3/t25-/m1/s1
InChIKeyHXSHPBHLVDCAIP-RUZDIDTESA-N
MW438.53 g/mol
LogP3.77
Rot. Bonds4

About (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one

(3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one (PubChem CID 95811889) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
PubChem CID95811889
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name(3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)ncn3C)[C@H](Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C27H26N4O2/c1-29-14-15-31(26(32)21-12-13-24-23(16-21)28-18-30(24)2)25(27(29)33)17-20-10-6-7-11-22(20)19-8-4-3-5-9-19/h3-13,16,18,25H,14-15,17H2,1-2H3/t25-/m1/s1
InChIKeyHXSHPBHLVDCAIP-RUZDIDTESA-N
XLogP3.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxypyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 125026438
(3S)-1-ethyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 95811893
3-[4-methyl-3-oxo-2-[(2-phenylphenyl)methyl]piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 110088240
(3S)-3-[[2-(3,5-difluorophenyl)phenyl]methyl]-1-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one
CID 95811942
(3S)-4-(2-methyl-1,3-benzothiazole-6-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 124964453
4-(2-methyl-1,3-benzothiazole-6-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 110088239
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136545306
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
(3S)-4-(3-methoxybenzoyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 129455424
(3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 95811931

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one (CID 95811889) is (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one is CN1CCN(C(=O)c2ccc3c(c2)ncn3C)[C@H](Cc2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one?
The InChIKey is HXSHPBHLVDCAIP-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26N4O2/c1-29-14-15-31(26(32)21-12-13-24-23(16-21)28-18-30(24)2)25(27(29)33)17-20-10-6-7-11-22(20)19-8-4-3-5-9-19/h3-13,16,18,25H,14-15,17H2,1-2H3/t25-/m1/s1.
What are the key properties of (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one?
(3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one has a molecular weight of 438.53 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 95811889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).