1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole

C20H22N4 — CID 166359652

IUPAC1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole
SMILESCc1ccncc1C1CCN(c2nc3ccccc3n2C2CC2)C1
InChIInChI=1S/C20H22N4/c1-14-8-10-21-12-17(14)15-9-11-23(13-15)20-22-18-4-2-3-5-19(18)24(20)16-6-7-16/h2-5,8,10,12,15-16H,6-7,9,11,13H2,1H3
InChIKeyVLMHWFLOIRIDMP-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.07
Rot. Bonds3

About 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole

1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole (PubChem CID 166359652) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole
PubChem CID166359652
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole
SMILESCc1ccncc1C1CCN(c2nc3ccccc3n2C2CC2)C1
InChIInChI=1S/C20H22N4/c1-14-8-10-21-12-17(14)15-9-11-23(13-15)20-22-18-4-2-3-5-19(18)24(20)16-6-7-16/h2-5,8,10,12,15-16H,6-7,9,11,13H2,1H3
InChIKeyVLMHWFLOIRIDMP-UHFFFAOYSA-N
XLogP4.07
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole?
The IUPAC name of 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole (CID 166359652) is 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole?
The canonical SMILES for 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole is Cc1ccncc1C1CCN(c2nc3ccccc3n2C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole?
The InChIKey is VLMHWFLOIRIDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-14-8-10-21-12-17(14)15-9-11-23(13-15)20-22-18-4-2-3-5-19(18)24(20)16-6-7-16/h2-5,8,10,12,15-16H,6-7,9,11,13H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole?
1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole has a molecular weight of 318.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole is sourced from PubChem (CID 166359652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).