2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole

C16H21N3 — CID 91675239

IUPAC2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
SMILESCCCCN1CC=C(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H21N3/c1-2-3-10-19-11-8-13(9-12-19)16-17-14-6-4-5-7-15(14)18-16/h4-8H,2-3,9-12H2,1H3,(H,17,18)
InChIKeyZASSKHCZHLHDOP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.45
Rot. Bonds4

About 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole

2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole (PubChem CID 91675239) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
PubChem CID91675239
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
SMILESCCCCN1CC=C(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H21N3/c1-2-3-10-19-11-8-13(9-12-19)16-17-14-6-4-5-7-15(14)18-16/h4-8H,2-3,9-12H2,1H3,(H,17,18)
InChIKeyZASSKHCZHLHDOP-UHFFFAOYSA-N
XLogP3.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
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-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole
CID 22100958
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
CID 45078390
4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
CID 3775071
2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole
CID 91675240
3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
CID 66745574
[4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane
CID 139823353
(4aS,8aR)-6-(1H-benzimidazol-2-ylmethyl)-1-butyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56900906
2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole
CID 25257213

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole (CID 91675239) is 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole is CCCCN1CC=C(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
The InChIKey is ZASSKHCZHLHDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-3-10-19-11-8-13(9-12-19)16-17-14-6-4-5-7-15(14)18-16/h4-8H,2-3,9-12H2,1H3,(H,17,18).
What are the key properties of 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole has a molecular weight of 255.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 91675239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).