1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole

C18H27N3 — CID 106983190

IUPAC1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCC(C)C1(c2nc3ccccc3n2C(C)(C)C)CCNC1
InChIInChI=1S/C18H27N3/c1-13(2)18(10-11-19-12-18)16-20-14-8-6-7-9-15(14)21(16)17(3,4)5/h6-9,13,19H,10-12H2,1-5H3
InChIKeyNSYULPGKQFEKRX-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.68
Rot. Bonds2

About 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole

1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (PubChem CID 106983190) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
PubChem CID106983190
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCC(C)C1(c2nc3ccccc3n2C(C)(C)C)CCNC1
InChIInChI=1S/C18H27N3/c1-13(2)18(10-11-19-12-18)16-20-14-8-6-7-9-15(14)21(16)17(3,4)5/h6-9,13,19H,10-12H2,1-5H3
InChIKeyNSYULPGKQFEKRX-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983205
6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983234
1-propan-2-yl-2-(3-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-c]pyridine
CID 106983249
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole
CID 106984605
1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole
CID 63030439
1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63133804
(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 62696105
1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828153
1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
CID 20728113
2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175643289
3-(2-methylphenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983333

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (CID 106983190) is 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole is CC(C)C1(c2nc3ccccc3n2C(C)(C)C)CCNC1.
What is the InChIKey of 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The InChIKey is NSYULPGKQFEKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)18(10-11-19-12-18)16-20-14-8-6-7-9-15(14)21(16)17(3,4)5/h6-9,13,19H,10-12H2,1-5H3.
What are the key properties of 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole has a molecular weight of 285.43 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 106983190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).