(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C20H22N4O — CID 110701045

IUPAC(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc4[nH]c(C)nc34)CC2)c1
InChIInChI=1S/C20H22N4O/c1-14-5-3-6-16(13-14)23-9-11-24(12-10-23)20(25)17-7-4-8-18-19(17)22-15(2)21-18/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyQFUXKBGNBFFICC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.14
Rot. Bonds2

About (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 110701045) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID110701045
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc4[nH]c(C)nc34)CC2)c1
InChIInChI=1S/C20H22N4O/c1-14-5-3-6-16(13-14)23-9-11-24(12-10-23)20(25)17-7-4-8-18-19(17)22-15(2)21-18/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyQFUXKBGNBFFICC-UHFFFAOYSA-N
XLogP3.14
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701031
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110692487
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701048
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone
CID 154833724
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701020
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55824865
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71894379

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 110701045) is (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cccc4[nH]c(C)nc34)CC2)c1.
What is the InChIKey of (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is QFUXKBGNBFFICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-5-3-6-16(13-14)23-9-11-24(12-10-23)20(25)17-7-4-8-18-19(17)22-15(2)21-18/h3-8,13H,9-12H2,1-2H3,(H,21,22).
What are the key properties of (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110701045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).