1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole

C19H29N3 — CID 82333331

IUPAC1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
SMILESCCCCCCn1c(C2CCCNC2)nc2cc(C)ccc21
InChIInChI=1S/C19H29N3/c1-3-4-5-6-12-22-18-10-9-15(2)13-17(18)21-19(22)16-8-7-11-20-14-16/h9-10,13,16,20H,3-8,11-12,14H2,1-2H3
InChIKeyKYQHJDKJZQXPPF-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.39
Rot. Bonds6

About 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole

1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole (PubChem CID 82333331) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole.

Molecular Properties

Compound Name1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
PubChem CID82333331
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
SMILESCCCCCCn1c(C2CCCNC2)nc2cc(C)ccc21
InChIInChI=1S/C19H29N3/c1-3-4-5-6-12-22-18-10-9-15(2)13-17(18)21-19(22)16-8-7-11-20-14-16/h9-10,13,16,20H,3-8,11-12,14H2,1-2H3
InChIKeyKYQHJDKJZQXPPF-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334211
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
1-hexyl-2-pyrrolidin-2-ylbenzimidazole
CID 175346334
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
3-(3-methoxypropyl)-2-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridine
CID 66785612
2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole
CID 82334214
1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334213
5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333242
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole?
The IUPAC name of 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole (CID 82333331) is 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole.
What is the SMILES notation for 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole?
The canonical SMILES for 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole is CCCCCCn1c(C2CCCNC2)nc2cc(C)ccc21.
What is the InChIKey of 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole?
The InChIKey is KYQHJDKJZQXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-3-4-5-6-12-22-18-10-9-15(2)13-17(18)21-19(22)16-8-7-11-20-14-16/h9-10,13,16,20H,3-8,11-12,14H2,1-2H3.
What are the key properties of 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole?
1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole has a molecular weight of 299.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole is sourced from PubChem (CID 82333331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).