2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole

C14H17N3 — CID 122244910

IUPAC2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole
SMILESC=C1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H17N3/c1-11-5-4-8-17(9-11)10-14-15-12-6-2-3-7-13(12)16-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16)
InChIKeyCSEWJXFUUAEAJC-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.71
Rot. Bonds2

About 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole

2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole (PubChem CID 122244910) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole
PubChem CID122244910
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole
SMILESC=C1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H17N3/c1-11-5-4-8-17(9-11)10-14-15-12-6-2-3-7-13(12)16-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16)
InChIKeyCSEWJXFUUAEAJC-UHFFFAOYSA-N
XLogP2.71
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 56913226
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole (CID 122244910) is 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole is C=C1CCCN(Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is CSEWJXFUUAEAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-5-4-8-17(9-11)10-14-15-12-6-2-3-7-13(12)16-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16).
What are the key properties of 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole?
2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole has a molecular weight of 227.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 122244910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).