1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole

C15H21N3 — CID 82497436

IUPAC1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCC(C)n1cnc2cc(CC3CCCN3)ccc21
InChIInChI=1S/C15H21N3/c1-11(2)18-10-17-14-9-12(5-6-15(14)18)8-13-4-3-7-16-13/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3
InChIKeyFPLKELJSKNIIFR-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.91
Rot. Bonds3

About 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole

1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole (PubChem CID 82497436) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole
PubChem CID82497436
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCC(C)n1cnc2cc(CC3CCCN3)ccc21
InChIInChI=1S/C15H21N3/c1-11(2)18-10-17-14-9-12(5-6-15(14)18)8-13-4-3-7-16-13/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3
InChIKeyFPLKELJSKNIIFR-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole
CID 82499656
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
5-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 82279461
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 82497430
6-(pyrrolidin-2-ylmethyl)-2,1-benzoxazole
CID 84776812
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[[3-bromo-4-(1-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117461346
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole?
The IUPAC name of 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole (CID 82497436) is 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole is CC(C)n1cnc2cc(CC3CCCN3)ccc21.
What is the InChIKey of 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole?
The InChIKey is FPLKELJSKNIIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)18-10-17-14-9-12(5-6-15(14)18)8-13-4-3-7-16-13/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole?
1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 82497436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).