[4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone

C23H26N4O2 — CID 134274078

IUPAC[4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCn1cnc2cc(-c3ccc(C(=O)N4CCN(CC5CCO5)CC4)cc3)ccc21
InChIInChI=1S/C23H26N4O2/c1-25-16-24-21-14-19(6-7-22(21)25)17-2-4-18(5-3-17)23(28)27-11-9-26(10-12-27)15-20-8-13-29-20/h2-7,14,16,20H,8-13,15H2,1H3
InChIKeyVQQFZIMBXMWYKQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.79
Rot. Bonds4

About [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone

[4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 134274078) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID134274078
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCn1cnc2cc(-c3ccc(C(=O)N4CCN(CC5CCO5)CC4)cc3)ccc21
InChIInChI=1S/C23H26N4O2/c1-25-16-24-21-14-19(6-7-22(21)25)17-2-4-18(5-3-17)23(28)27-11-9-26(10-12-27)15-20-8-13-29-20/h2-7,14,16,20H,8-13,15H2,1H3
InChIKeyVQQFZIMBXMWYKQ-UHFFFAOYSA-N
XLogP2.79
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone 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

(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136555325
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 125169053
8-[4-(1-methylbenzimidazol-5-yl)benzoyl]-5,8,11-triazaspiro[3.8]dodecan-12-one
CID 155267696
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone
CID 139375674
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
[4-[3-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 130331463

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone (CID 134274078) is [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone is Cn1cnc2cc(-c3ccc(C(=O)N4CCN(CC5CCO5)CC4)cc3)ccc21.
What is the InChIKey of [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is VQQFZIMBXMWYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-25-16-24-21-14-19(6-7-22(21)25)17-2-4-18(5-3-17)23(28)27-11-9-26(10-12-27)15-20-8-13-29-20/h2-7,14,16,20H,8-13,15H2,1H3.
What are the key properties of [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone?
[4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134274078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).