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

C21H22N4O2 — CID 110802203

IUPAC(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-14-4-3-5-16(12-14)20(26)24-8-10-25(11-9-24)21(27)17-6-7-18-19(13-17)23-15(2)22-18/h3-7,12-13H,8-11H2,1-2H3,(H,22,23)
InChIKeyRJVOXBIIXDJNLO-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.78
Rot. Bonds2

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

(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110802203) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID110802203
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-14-4-3-5-16(12-14)20(26)24-8-10-25(11-9-24)21(27)17-6-7-18-19(13-17)23-15(2)22-18/h3-7,12-13H,8-11H2,1-2H3,(H,22,23)
InChIKeyRJVOXBIIXDJNLO-UHFFFAOYSA-N
XLogP2.78
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110692487
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
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
[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
4-(2-methyl-3H-benzimidazole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813696
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110810124
3-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814711
(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643379

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone (CID 110802203) is (2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)CC2)c1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is RJVOXBIIXDJNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-4-3-5-16(12-14)20(26)24-8-10-25(11-9-24)21(27)17-6-7-18-19(13-17)23-15(2)22-18/h3-7,12-13H,8-11H2,1-2H3,(H,22,23).
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110802203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).