1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole

C18H20N4 — CID 59172151

IUPAC1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESc1cncc(Cn2c(CN3CCCC3)nc3ccccc32)c1
InChIInChI=1S/C18H20N4/c1-2-8-17-16(7-1)20-18(14-21-10-3-4-11-21)22(17)13-15-6-5-9-19-12-15/h1-2,5-9,12H,3-4,10-11,13-14H2
InChIKeyRHCWNWABIREFHQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.08
Rot. Bonds4

About 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole

1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole (PubChem CID 59172151) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
PubChem CID59172151
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESc1cncc(Cn2c(CN3CCCC3)nc3ccccc32)c1
InChIInChI=1S/C18H20N4/c1-2-8-17-16(7-1)20-18(14-21-10-3-4-11-21)22(17)13-15-6-5-9-19-12-15/h1-2,5-9,12H,3-4,10-11,13-14H2
InChIKeyRHCWNWABIREFHQ-UHFFFAOYSA-N
XLogP3.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-(pyridin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole;2,2,2-trifluoroacetic acid
CID 162312765
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbaldehyde
CID 90040131
2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311144
methyl 4-[[2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]methyl]benzoate
CID 59172140

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The IUPAC name of 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole (CID 59172151) is 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole is c1cncc(Cn2c(CN3CCCC3)nc3ccccc32)c1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The InChIKey is RHCWNWABIREFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-8-17-16(7-1)20-18(14-21-10-3-4-11-21)22(17)13-15-6-5-9-19-12-15/h1-2,5-9,12H,3-4,10-11,13-14H2.
What are the key properties of 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole?
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole has a molecular weight of 292.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 59172151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).