2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole

C12H13N3 — CID 45078390

IUPAC2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
SMILESC1=C(c2nc3ccccc3[nH]2)CCNC1
InChIInChI=1S/C12H13N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,15)
InChIKeyARPMXZNAYVQOEL-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.94
Rot. Bonds1

About 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole

2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole (PubChem CID 45078390) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
PubChem CID45078390
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
SMILESC1=C(c2nc3ccccc3[nH]2)CCNC1
InChIInChI=1S/C12H13N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,15)
InChIKeyARPMXZNAYVQOEL-UHFFFAOYSA-N
XLogP1.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
CID 95909938
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
CID 749986
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
CID 91675239
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole
CID 22100958
2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole
CID 25257213
CID 121235374
CID 121235374
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole (CID 45078390) is 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole is C1=C(c2nc3ccccc3[nH]2)CCNC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole?
The InChIKey is ARPMXZNAYVQOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,15).
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole?
2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole has a molecular weight of 199.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 45078390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).