2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one

C25H29N5O3 — CID 70802793

IUPAC2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
SMILESCOc1cc(N2CCN(C(=O)C(C)n3cnc4c3CCC=C4)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H29N5O3/c1-17(30-16-27-21-6-4-5-7-22(21)30)25(31)29-12-10-28(11-13-29)19-8-9-20(23(14-19)32-3)24-15-26-18(2)33-24/h4,6,8-9,14-17H,5,7,10-13H2,1-3H3
InChIKeyJHAFJBWPFCDKSO-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.72
Rot. Bonds5

About 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one

2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 70802793) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID70802793
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
SMILESCOc1cc(N2CCN(C(=O)C(C)n3cnc4c3CCC=C4)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H29N5O3/c1-17(30-16-27-21-6-4-5-7-22(21)30)25(31)29-12-10-28(11-13-29)19-8-9-20(23(14-19)32-3)24-15-26-18(2)33-24/h4,6,8-9,14-17H,5,7,10-13H2,1-3H3
InChIKeyJHAFJBWPFCDKSO-UHFFFAOYSA-N
XLogP3.72
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
CID 70802953
2-(benzimidazol-1-yl)-3-methoxy-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
CID 70802785
4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 70802989
4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 70802523
N-[(2,5-difluorophenyl)methyl]-4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 70802653
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,4-diazepan-5-one
CID 70802884
N-(3-chloro-4-fluorophenyl)-2-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-oxo-1,4-diazepan-1-yl]-N-methylacetamide
CID 70802536
4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide
CID 70802994
1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,2-dimethylpiperazin-1-yl]-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 70802714
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-oxo-1,4-diazepan-1-yl]acetamide
CID 70802885
2-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-oxo-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 70802556
1-[(3S)-4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-methylpiperazin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 70802611

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one (CID 70802793) is 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one is COc1cc(N2CCN(C(=O)C(C)n3cnc4c3CCC=C4)CC2)ccc1-c1cnc(C)o1.
What is the InChIKey of 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is JHAFJBWPFCDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17(30-16-27-21-6-4-5-7-22(21)30)25(31)29-12-10-28(11-13-29)19-8-9-20(23(14-19)32-3)24-15-26-18(2)33-24/h4,6,8-9,14-17H,5,7,10-13H2,1-3H3.
What are the key properties of 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one?
2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 447.54 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydrobenzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 70802793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).