3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one

C26H30N4O2 — CID 91947042

IUPAC3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one
SMILESCn1c(C2CCCN(C(=O)CCN3C(=O)C(C)(C)c4ccccc43)C2)nc2ccccc21
InChIInChI=1S/C26H30N4O2/c1-26(2)19-10-4-6-12-21(19)30(25(26)32)16-14-23(31)29-15-8-9-18(17-29)24-27-20-11-5-7-13-22(20)28(24)3/h4-7,10-13,18H,8-9,14-17H2,1-3H3
InChIKeyFGMINROKUPRLEI-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.99
Rot. Bonds4

About 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one

3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one (PubChem CID 91947042) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one
PubChem CID91947042
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one
SMILESCn1c(C2CCCN(C(=O)CCN3C(=O)C(C)(C)c4ccccc43)C2)nc2ccccc21
InChIInChI=1S/C26H30N4O2/c1-26(2)19-10-4-6-12-21(19)30(25(26)32)16-14-23(31)29-15-8-9-18(17-29)24-27-20-11-5-7-13-22(20)28(24)3/h4-7,10-13,18H,8-9,14-17H2,1-3H3
InChIKeyFGMINROKUPRLEI-UHFFFAOYSA-N
XLogP3.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one 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

N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97275588
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 91947110
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 91947147
2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
CID 91947125
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone
CID 91947132
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91946978

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one?
The IUPAC name of 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one (CID 91947042) is 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one?
The canonical SMILES for 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one is Cn1c(C2CCCN(C(=O)CCN3C(=O)C(C)(C)c4ccccc43)C2)nc2ccccc21.
What is the InChIKey of 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one?
The InChIKey is FGMINROKUPRLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-26(2)19-10-4-6-12-21(19)30(25(26)32)16-14-23(31)29-15-8-9-18(17-29)24-27-20-11-5-7-13-22(20)28(24)3/h4-7,10-13,18H,8-9,14-17H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one?
3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one has a molecular weight of 430.55 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one is sourced from PubChem (CID 91947042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).