5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

C20H21N3O2 — CID 139000890

IUPAC5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)14-5-7-17-12(10-14)8-9-23(17)18(24)13-4-6-15-16(11-13)22-19(25)21-15/h4-7,10-11H,8-9H2,1-3H3,(H2,21,22,25)
InChIKeyHFLXBRLEQGWYOW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.36
Rot. Bonds1

About 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 139000890) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID139000890
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)14-5-7-17-12(10-14)8-9-23(17)18(24)13-4-6-15-16(11-13)22-19(25)21-15/h4-7,10-11H,8-9H2,1-3H3,(H2,21,22,25)
InChIKeyHFLXBRLEQGWYOW-UHFFFAOYSA-N
XLogP3.36
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 75429777
6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110766380
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 159388986
(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120629797
7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 31921305
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120629796
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
N-[3-(5-acetyl-2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 110746144

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 139000890) is 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HFLXBRLEQGWYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,3)14-5-7-17-12(10-14)8-9-23(17)18(24)13-4-6-15-16(11-13)22-19(25)21-15/h4-7,10-11H,8-9H2,1-3H3,(H2,21,22,25).
What are the key properties of 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 139000890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).