6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole

C16H23N3 — CID 84636801

IUPAC6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
SMILESCn1c(C2CCCN2)nc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C16H23N3/c1-16(2,3)11-7-8-12-14(10-11)19(4)15(18-12)13-6-5-9-17-13/h7-8,10,13,17H,5-6,9H2,1-4H3
InChIKeyYSDFENKJIVTYRU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.30
Rot. Bonds1

About 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole

6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole (PubChem CID 84636801) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole.

Molecular Properties

Compound Name6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
PubChem CID84636801
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
SMILESCn1c(C2CCCN2)nc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C16H23N3/c1-16(2,3)11-7-8-12-14(10-11)19(4)15(18-12)13-6-5-9-17-13/h7-8,10,13,17H,5-6,9H2,1-4H3
InChIKeyYSDFENKJIVTYRU-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-dimethyl-2-piperidin-2-ylbenzimidazole
CID 83857900
3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile
CID 84629728
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
CID 83857852
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole
CID 46309308
4-tert-butyl-2-[(2S)-pyrrolidin-2-yl]aniline
CID 66519039
1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
CID 84631010
1-hexyl-2-pyrrolidin-2-ylbenzimidazole
CID 175346334
2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine
CID 114239785
1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole
CID 46311065
6-[1-(4-tert-butylphenyl)-5-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 58032005
2-(4-tert-butylphenyl)piperidine
CID 4137790

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole?
The IUPAC name of 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole (CID 84636801) is 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole.
What is the SMILES notation for 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole?
The canonical SMILES for 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole is Cn1c(C2CCCN2)nc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole?
The InChIKey is YSDFENKJIVTYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)11-7-8-12-14(10-11)19(4)15(18-12)13-6-5-9-17-13/h7-8,10,13,17H,5-6,9H2,1-4H3.
What are the key properties of 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole?
6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole has a molecular weight of 257.38 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole is sourced from PubChem (CID 84636801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).