4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole

C15H21N3 — CID 84631003

IUPAC4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole
SMILESCC(C)(C)c1cccc2[nH]c(C3CCCN3)nc12
InChIInChI=1S/C15H21N3/c1-15(2,3)10-6-4-7-11-13(10)18-14(17-11)12-8-5-9-16-12/h4,6-7,12,16H,5,8-9H2,1-3H3,(H,17,18)
InChIKeyONDKOEIXVZBZDL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.28
Rot. Bonds1

About 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole

4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole (PubChem CID 84631003) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole
PubChem CID84631003
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole
SMILESCC(C)(C)c1cccc2[nH]c(C3CCCN3)nc12
InChIInChI=1S/C15H21N3/c1-15(2,3)10-6-4-7-11-13(10)18-14(17-11)12-8-5-9-16-12/h4,6-7,12,16H,5,8-9H2,1-3H3,(H,17,18)
InChIKeyONDKOEIXVZBZDL-UHFFFAOYSA-N
XLogP3.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
2-(azocan-2-yl)-4-methyl-1H-benzimidazole
CID 114239782
4-methylsulfonyl-2-piperidin-2-yl-1H-benzimidazole
CID 82008772
4-tert-butyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 84636826
7-[4-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-cyclodeca[d]imidazol-7-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 67477656
4-methyl-6-[4-(7-methyl-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77279480
4-methyl-6-[4-[7-methyl-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 67107027
2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 70238368
(2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite
CID 145150337
2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole
CID 129171884
4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
CID 94919995
6-[1-(4-tert-butylphenyl)-5-(7-fluoro-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-2-yl]-4-fluoro-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77155551

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole?
The IUPAC name of 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole (CID 84631003) is 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole.
What is the SMILES notation for 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole?
The canonical SMILES for 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole is CC(C)(C)c1cccc2[nH]c(C3CCCN3)nc12.
What is the InChIKey of 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole?
The InChIKey is ONDKOEIXVZBZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)10-6-4-7-11-13(10)18-14(17-11)12-8-5-9-16-12/h4,6-7,12,16H,5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole?
4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole is sourced from PubChem (CID 84631003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).