2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole

C16H23N3 — CID 117397195

IUPAC2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole
SMILESCc1nc2cc(C3CCCCN3)ccc2n1C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)19-12(3)18-15-10-13(7-8-16(15)19)14-6-4-5-9-17-14/h7-8,10-11,14,17H,4-6,9H2,1-3H3
InChIKeyKTGCPPQGUVJLOH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.74
Rot. Bonds2

About 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole

2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole (PubChem CID 117397195) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole
PubChem CID117397195
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole
SMILESCc1nc2cc(C3CCCCN3)ccc2n1C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)19-12(3)18-15-10-13(7-8-16(15)19)14-6-4-5-9-17-14/h7-8,10-11,14,17H,4-6,9H2,1-3H3
InChIKeyKTGCPPQGUVJLOH-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole
CID 82497189
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CID 64559378
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
6-piperidin-2-ylquinoxaline
CID 171487792
7-piperidin-2-ylquinoline
CID 81224004
[1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine
CID 117462144
1-methyl-6-piperidin-2-ylindazole;hydrochloride
CID 154883669
3-methyl-7-piperidin-2-ylisoquinoline
CID 117325813
4-tert-butyl-7-piperidin-2-ylisoquinoline
CID 117424916
2-methyl-5-piperidin-2-ylaniline
CID 55272863
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
2-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 84788156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole (CID 117397195) is 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole is Cc1nc2cc(C3CCCCN3)ccc2n1C(C)C.
What is the InChIKey of 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole?
The InChIKey is KTGCPPQGUVJLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)19-12(3)18-15-10-13(7-8-16(15)19)14-6-4-5-9-17-14/h7-8,10-11,14,17H,4-6,9H2,1-3H3.
What are the key properties of 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole?
2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole has a molecular weight of 257.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 117397195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).