2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole

C14H19N3 — CID 10105230

IUPAC2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
SMILESCC(C)C1(N2CCCC2)N=c2ccccc2=N1
InChIInChI=1S/C14H19N3/c1-11(2)14(17-9-5-6-10-17)15-12-7-3-4-8-13(12)16-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyFUQDNFGBSYLCAS-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.35
Rot. Bonds2

About 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole

2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole (PubChem CID 10105230) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole.

Molecular Properties

Compound Name2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
PubChem CID10105230
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
SMILESCC(C)C1(N2CCCC2)N=c2ccccc2=N1
InChIInChI=1S/C14H19N3/c1-11(2)14(17-9-5-6-10-17)15-12-7-3-4-8-13(12)16-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyFUQDNFGBSYLCAS-UHFFFAOYSA-N
XLogP1.35
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydropyrrolo[2,1-b]quinazoline
CID 67838209
2-Methyl-2-pyrrolidin-1-ylindole
CID 54441439
1-butyl-3-ethyl-2H-benzimidazole-1,3-diium
CID 57972525
6-Methyl-2-pyrrolidin-1-yl-2,3-dihydropyridine
CID 123364369
Ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole
CID 143715536
N,N-dimethyl-2-propylbenzimidazol-2-amine
CID 10013136
2-Methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
CID 57374606
(Z)-N-(pyrrolidin-1-ylmethyl)dec-5-en-4-imine
CID 143541055
3-Methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole
CID 143715537
2-[(5E)-hepta-1,5-dien-3-yl]-3-methyl-2,3a-dihydrobenzimidazole
CID 145635778

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole?
The IUPAC name of 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole (CID 10105230) is 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole.
What is the SMILES notation for 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole?
The canonical SMILES for 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole is CC(C)C1(N2CCCC2)N=c2ccccc2=N1.
What is the InChIKey of 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole?
The InChIKey is FUQDNFGBSYLCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)14(17-9-5-6-10-17)15-12-7-3-4-8-13(12)16-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole?
2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole has a molecular weight of 229.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole is sourced from PubChem (CID 10105230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).