1-(piperidin-4-ylmethyl)-2-propylbenzimidazole

C16H23N3 — CID 82149668

IUPAC1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1CC1CCNCC1
InChIInChI=1S/C16H23N3/c1-2-5-16-18-14-6-3-4-7-15(14)19(16)12-13-8-10-17-11-9-13/h3-4,6-7,13,17H,2,5,8-12H2,1H3
InChIKeyRAEJZILRSJJKSZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.99
Rot. Bonds4

About 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole

1-(piperidin-4-ylmethyl)-2-propylbenzimidazole (PubChem CID 82149668) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
PubChem CID82149668
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1CC1CCNCC1
InChIInChI=1S/C16H23N3/c1-2-5-16-18-14-6-3-4-7-15(14)19(16)12-13-8-10-17-11-9-13/h3-4,6-7,13,17H,2,5,8-12H2,1H3
InChIKeyRAEJZILRSJJKSZ-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
2-bromo-1-(piperidin-4-ylmethyl)benzimidazole
CID 84815298
1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
CID 107391401
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
CID 62389696
1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole
CID 82149676
2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
CID 115970770
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
2-(2-chloroethyl)-1-(oxan-4-ylmethyl)benzimidazole
CID 63713165
2-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 115970712
2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline
CID 94756262

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole?
The IUPAC name of 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole (CID 82149668) is 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole is CCCc1nc2ccccc2n1CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole?
The InChIKey is RAEJZILRSJJKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-5-16-18-14-6-3-4-7-15(14)19(16)12-13-8-10-17-11-9-13/h3-4,6-7,13,17H,2,5,8-12H2,1H3.
What are the key properties of 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole?
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole has a molecular weight of 257.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-2-propylbenzimidazole is sourced from PubChem (CID 82149668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).