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

C14H19N3 — CID 10105231

IUPAC1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
SMILESCC(C)n1c(N2CCCC2)nc2ccccc21
InChIInChI=1S/C14H19N3/c1-11(2)17-13-8-4-3-7-12(13)15-14(17)16-9-5-6-10-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyZIBBHDNTQVXGEQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.22
Rot. Bonds2

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

1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole (PubChem CID 10105231) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
PubChem CID10105231
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
SMILESCC(C)n1c(N2CCCC2)nc2ccccc21
InChIInChI=1S/C14H19N3/c1-11(2)17-13-8-4-3-7-12(13)15-14(17)16-9-5-6-10-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyZIBBHDNTQVXGEQ-UHFFFAOYSA-N
XLogP3.22
TPSA21.06 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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperazin-1-yl-1-propan-2-ylbenzimidazole
CID 22636223
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551198
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
2-(2-phenylethenyl)-1-propan-2-ylbenzimidazole
CID 3787775
1-propan-2-ylbenzimidazole-2-sulfonate
CID 7853257
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551201
1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61292527
1-propan-2-yl-2-[5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]benzimidazole
CID 154883849
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole?
The IUPAC name of 1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole (CID 10105231) is 1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole.
What is the SMILES notation for 1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole?
The canonical SMILES for 1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole is CC(C)n1c(N2CCCC2)nc2ccccc21.
What is the InChIKey of 1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole?
The InChIKey is ZIBBHDNTQVXGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)17-13-8-4-3-7-12(13)15-14(17)16-9-5-6-10-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole?
1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole has a molecular weight of 229.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole is sourced from PubChem (CID 10105231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).