5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole

C17H25N3 — CID 82333743

IUPAC5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
SMILESCCCn1c(C2CCNCC2)nc2cc(CC)ccc21
InChIInChI=1S/C17H25N3/c1-3-11-20-16-6-5-13(4-2)12-15(16)19-17(20)14-7-9-18-10-8-14/h5-6,12,14,18H,3-4,7-11H2,1-2H3
InChIKeyQQWZJXRLUFKUNI-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.48
Rot. Bonds4

About 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole

5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole (PubChem CID 82333743) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole.

Molecular Properties

Compound Name5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
PubChem CID82333743
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
SMILESCCCn1c(C2CCNCC2)nc2cc(CC)ccc21
InChIInChI=1S/C17H25N3/c1-3-11-20-16-6-5-13(4-2)12-15(16)19-17(20)14-7-9-18-10-8-14/h5-6,12,14,18H,3-4,7-11H2,1-2H3
InChIKeyQQWZJXRLUFKUNI-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333752
2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 84818178
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
CID 82142102
1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
CID 82335125
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307
1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
[1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine
CID 65038222
5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333242
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole?
The IUPAC name of 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole (CID 82333743) is 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole.
What is the SMILES notation for 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole?
The canonical SMILES for 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole is CCCn1c(C2CCNCC2)nc2cc(CC)ccc21.
What is the InChIKey of 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole?
The InChIKey is QQWZJXRLUFKUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-11-20-16-6-5-13(4-2)12-15(16)19-17(20)14-7-9-18-10-8-14/h5-6,12,14,18H,3-4,7-11H2,1-2H3.
What are the key properties of 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole?
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole is sourced from PubChem (CID 82333743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).