(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone

C21H24N4O — CID 110643379

IUPAC(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)cc2[nH]1
InChIInChI=1S/C21H24N4O/c1-14-4-5-17(12-15(14)2)21(26)25-10-8-24(9-11-25)18-6-7-19-20(13-18)23-16(3)22-19/h4-7,12-13H,8-11H2,1-3H3,(H,22,23)
InChIKeyADTFTYACOOWTJL-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.45
Rot. Bonds2

About (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone

(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone (PubChem CID 110643379) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
PubChem CID110643379
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)cc2[nH]1
InChIInChI=1S/C21H24N4O/c1-14-4-5-17(12-15(14)2)21(26)25-10-8-24(9-11-25)18-6-7-19-20(13-18)23-16(3)22-19/h4-7,12-13H,8-11H2,1-3H3,(H,22,23)
InChIKeyADTFTYACOOWTJL-UHFFFAOYSA-N
XLogP3.45
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110692487
(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643374
3-[4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carbonyl]benzonitrile
CID 110643372
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
(2-methyl-3H-benzimidazol-5-yl)-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802143
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
propan-2-yl 4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 143658550
(2-methyl-3H-benzimidazol-5-yl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814093

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone (CID 110643379) is (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone is Cc1nc2ccc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)cc2[nH]1.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is ADTFTYACOOWTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-4-5-17(12-15(14)2)21(26)25-10-8-24(9-11-25)18-6-7-19-20(13-18)23-16(3)22-19/h4-7,12-13H,8-11H2,1-3H3,(H,22,23).
What are the key properties of (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110643379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).