[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone

C21H22N4O2 — CID 110802064

IUPAC[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCc1nc2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)ccc2n1C
InChIInChI=1S/C21H22N4O2/c1-15-22-18-14-17(8-9-19(18)23(15)2)21(27)25-12-10-24(11-13-25)20(26)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyLLYHLOKQMVLJOW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.48
Rot. Bonds2

About [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone

[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 110802064) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
PubChem CID110802064
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCc1nc2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)ccc2n1C
InChIInChI=1S/C21H22N4O2/c1-15-22-18-14-17(8-9-19(18)23(15)2)21(27)25-12-10-24(11-13-25)20(26)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyLLYHLOKQMVLJOW-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
(1,2-dimethylbenzimidazol-5-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759028
(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804882
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
N-[1-(1,2-dimethylbenzimidazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51101306
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
(1,2-dimethylbenzimidazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023368
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
(1,2-dimethylbenzimidazol-5-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46981415
(1,2-dimethylbenzimidazol-5-yl)-[4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone
CID 95800188
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 46651328

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone (CID 110802064) is [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone is Cc1nc2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)ccc2n1C.
What is the InChIKey of [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is LLYHLOKQMVLJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-22-18-14-17(8-9-19(18)23(15)2)21(27)25-12-10-24(11-13-25)20(26)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 362.43 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 110802064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).