2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole

C16H23N3 — CID 114422438

IUPAC2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2CC(C)CCN2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-3-10-19-15-7-5-4-6-13(15)18-16(19)14-11-12(2)8-9-17-14/h4-7,12,14,17H,3,8-11H2,1-2H3
InChIKeyVIOKFTNOISKZLJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole

2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole (PubChem CID 114422438) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
PubChem CID114422438
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2CC(C)CCN2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-3-10-19-15-7-5-4-6-13(15)18-16(19)14-11-12(2)8-9-17-14/h4-7,12,14,17H,3,8-11H2,1-2H3
InChIKeyVIOKFTNOISKZLJ-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexyl-2-pyrrolidin-2-ylbenzimidazole
CID 175346334
1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole
CID 114422463
2-(1-propylbenzimidazol-2-yl)cyclopentan-1-amine
CID 64812653
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
1-methyl-2-(4-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 114113135
4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
CID 60784787
1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757049
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742811
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62388125

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole?
The IUPAC name of 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole (CID 114422438) is 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole.
What is the SMILES notation for 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole?
The canonical SMILES for 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole is CCCn1c(C2CC(C)CCN2)nc2ccccc21.
What is the InChIKey of 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole?
The InChIKey is VIOKFTNOISKZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-10-19-15-7-5-4-6-13(15)18-16(19)14-11-12(2)8-9-17-14/h4-7,12,14,17H,3,8-11H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole?
2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole has a molecular weight of 257.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole is sourced from PubChem (CID 114422438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).