2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole

C15H20N4 — CID 115314474

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(CN3CCC4CCC(C3)N4)nc2c1
InChIInChI=1S/C15H20N4/c1-2-4-14-13(3-1)17-15(18-14)10-19-8-7-11-5-6-12(9-19)16-11/h1-4,11-12,16H,5-10H2,(H,17,18)
InChIKeyNAWTXVDHFYTOBO-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.89
Rot. Bonds2

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole

2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole (PubChem CID 115314474) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
PubChem CID115314474
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(CN3CCC4CCC(C3)N4)nc2c1
InChIInChI=1S/C15H20N4/c1-2-4-14-13(3-1)17-15(18-14)10-19-8-7-11-5-6-12(9-19)16-11/h1-4,11-12,16H,5-10H2,(H,17,18)
InChIKeyNAWTXVDHFYTOBO-UHFFFAOYSA-N
XLogP1.89
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
4-[(3S)-1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 95729737
(3S,4R)-1-(1H-benzimidazol-2-ylmethyl)-3-methoxypiperidin-4-amine;dihydrate
CID 67946488
(4aR,8aS)-6-(1H-benzimidazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine;dihydrochloride
CID 154924128
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126891986
2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 45199332

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole (CID 115314474) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole is c1ccc2[nH]c(CN3CCC4CCC(C3)N4)nc2c1.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole?
The InChIKey is NAWTXVDHFYTOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-4-14-13(3-1)17-15(18-14)10-19-8-7-11-5-6-12(9-19)16-11/h1-4,11-12,16H,5-10H2,(H,17,18).
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole?
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole has a molecular weight of 256.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 115314474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).