1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone

C21H22N4O2 — CID 34838428

IUPAC1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-22-19-14-17(21(27)24-12-10-23(11-13-24)16(2)26)8-9-20(19)25(15)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3
InChIKeyMZWIECARMQDWNP-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.64
Rot. Bonds2

About 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone

1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 34838428) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID34838428
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-22-19-14-17(21(27)24-12-10-23(11-13-24)16(2)26)8-9-20(19)25(15)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3
InChIKeyMZWIECARMQDWNP-UHFFFAOYSA-N
XLogP2.64
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 46651328
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17398284
2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 55656773
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 25467592
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;dihydrochloride
CID 120656617
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide
CID 49418952
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 97324649

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone (CID 34838428) is 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MZWIECARMQDWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-22-19-14-17(21(27)24-12-10-23(11-13-24)16(2)26)8-9-20(19)25(15)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 34838428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).