1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole

C15H19N3 — CID 82497189

IUPAC1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole
SMILESCc1nc2cc(C3CCCN3)ccc2n1C1CC1
InChIInChI=1S/C15H19N3/c1-10-17-14-9-11(13-3-2-8-16-13)4-7-15(14)18(10)12-5-6-12/h4,7,9,12-13,16H,2-3,5-6,8H2,1H3
InChIKeyMXWQCHHIASJLFL-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.10
Rot. Bonds2

About 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole

1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole (PubChem CID 82497189) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole
PubChem CID82497189
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole
SMILESCc1nc2cc(C3CCCN3)ccc2n1C1CC1
InChIInChI=1S/C15H19N3/c1-10-17-14-9-11(13-3-2-8-16-13)4-7-15(14)18(10)12-5-6-12/h4,7,9,12-13,16H,2-3,5-6,8H2,1H3
InChIKeyMXWQCHHIASJLFL-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,5-dimethyl-1-pyrrolidin-3-ylbenzimidazole
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1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
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CID 82492655

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole?
The IUPAC name of 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole (CID 82497189) is 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole?
The canonical SMILES for 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole is Cc1nc2cc(C3CCCN3)ccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole?
The InChIKey is MXWQCHHIASJLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-17-14-9-11(13-3-2-8-16-13)4-7-15(14)18(10)12-5-6-12/h4,7,9,12-13,16H,2-3,5-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole?
1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole has a molecular weight of 241.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole is sourced from PubChem (CID 82497189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).