ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole

C17H29N3 — CID 162156839

IUPACethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
SMILESCC.CC.c1ccc2[nH]c(CC3CCNCC3)nc2c1
InChIInChI=1S/C13H17N3.2C2H6/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10;2*1-2/h1-4,10,14H,5-9H2,(H,15,16);2*1-2H3
InChIKeyZLYAOOILNDALED-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.16
Rot. Bonds2

About ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole

ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole (PubChem CID 162156839) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Nameethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
PubChem CID162156839
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Nameethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
SMILESCC.CC.c1ccc2[nH]c(CC3CCNCC3)nc2c1
InChIInChI=1S/C13H17N3.2C2H6/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10;2*1-2/h1-4,10,14H,5-9H2,(H,15,16);2*1-2H3
InChIKeyZLYAOOILNDALED-UHFFFAOYSA-N
XLogP4.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71642448
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
2-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82474562
2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]acetic acid;hydrochloride
CID 172884193
2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1H-benzimidazole
CID 70794435
2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole
CID 138032901
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
CID 125423881
3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 63637202

Frequently Asked Questions

What is the IUPAC name of ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole?
The IUPAC name of ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole (CID 162156839) is ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole?
The canonical SMILES for ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole is CC.CC.c1ccc2[nH]c(CC3CCNCC3)nc2c1.
What is the InChIKey of ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole?
The InChIKey is ZLYAOOILNDALED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.2C2H6/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10;2*1-2/h1-4,10,14H,5-9H2,(H,15,16);2*1-2H3.
What are the key properties of ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole?
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole has a molecular weight of 275.44 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 162156839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).