1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole

C19H29N3 — CID 82334211

IUPAC1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
SMILESCC(C)Cn1c(C2CCCNC2)nc2cc(C(C)C)ccc21
InChIInChI=1S/C19H29N3/c1-13(2)12-22-18-8-7-15(14(3)4)10-17(18)21-19(22)16-6-5-9-20-11-16/h7-8,10,13-14,16,20H,5-6,9,11-12H2,1-4H3
InChIKeyYSIQKKSGAJQBEH-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.28
Rot. Bonds4

About 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole

1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole (PubChem CID 82334211) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
PubChem CID82334211
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
SMILESCC(C)Cn1c(C2CCCNC2)nc2cc(C(C)C)ccc21
InChIInChI=1S/C19H29N3/c1-13(2)12-22-18-8-7-15(14(3)4)10-17(18)21-19(22)16-6-5-9-20-11-16/h7-8,10,13-14,16,20H,5-6,9,11-12H2,1-4H3
InChIKeyYSIQKKSGAJQBEH-UHFFFAOYSA-N
XLogP4.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 97032975
1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 82333331
2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
CID 82488604
2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
CID 82334138
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906
1-(2-methylpropyl)-2-(thiolan-3-yl)benzimidazole-5-carbonitrile
CID 65040284

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
The IUPAC name of 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole (CID 82334211) is 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
The canonical SMILES for 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole is CC(C)Cn1c(C2CCCNC2)nc2cc(C(C)C)ccc21.
What is the InChIKey of 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
The InChIKey is YSIQKKSGAJQBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-13(2)12-22-18-8-7-15(14(3)4)10-17(18)21-19(22)16-6-5-9-20-11-16/h7-8,10,13-14,16,20H,5-6,9,11-12H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole has a molecular weight of 299.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole is sourced from PubChem (CID 82334211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).