1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone

C24H26N4O — CID 91947110

IUPAC1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1CCCC(c2nc3ccccc3n2C)C1
InChIInChI=1S/C24H26N4O/c1-17-14-18-8-3-5-11-21(18)28(17)16-23(29)27-13-7-9-19(15-27)24-25-20-10-4-6-12-22(20)26(24)2/h3-6,8,10-12,14,19H,7,9,13,15-16H2,1-2H3
InChIKeyLQGBWQFBHRHWFP-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.24
Rot. Bonds3

About 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone

1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone (PubChem CID 91947110) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
PubChem CID91947110
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1CCCC(c2nc3ccccc3n2C)C1
InChIInChI=1S/C24H26N4O/c1-17-14-18-8-3-5-11-21(18)28(17)16-23(29)27-13-7-9-19(15-27)24-25-20-10-4-6-12-22(20)26(24)2/h3-6,8,10-12,14,19H,7,9,13,15-16H2,1-2H3
InChIKeyLQGBWQFBHRHWFP-UHFFFAOYSA-N
XLogP4.24
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51974268
N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 91947147
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97275588
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124959107
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
[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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone?
The IUPAC name of 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone (CID 91947110) is 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone?
The canonical SMILES for 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone is Cc1cc2ccccc2n1CC(=O)N1CCCC(c2nc3ccccc3n2C)C1.
What is the InChIKey of 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone?
The InChIKey is LQGBWQFBHRHWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-14-18-8-3-5-11-21(18)28(17)16-23(29)27-13-7-9-19(15-27)24-25-20-10-4-6-12-22(20)26(24)2/h3-6,8,10-12,14,19H,7,9,13,15-16H2,1-2H3.
What are the key properties of 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone?
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone has a molecular weight of 386.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone is sourced from PubChem (CID 91947110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).