2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane

C17H24N4 — CID 56717836

IUPAC2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCn1c(CN2CCC3(CCNCC3)C2)nc2ccccc21
InChIInChI=1S/C17H24N4/c1-20-15-5-3-2-4-14(15)19-16(20)12-21-11-8-17(13-21)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
InChIKeyLICMHVYHKKEEBD-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.15
Rot. Bonds2

About 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane

2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 56717836) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID56717836
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCn1c(CN2CCC3(CCNCC3)C2)nc2ccccc21
InChIInChI=1S/C17H24N4/c1-20-15-5-3-2-4-14(15)19-16(20)12-21-11-8-17(13-21)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
InChIKeyLICMHVYHKKEEBD-UHFFFAOYSA-N
XLogP2.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole
CID 120908401
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129485616
1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128978600
9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765030
2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567574
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
CID 103982830
[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 42197449
2-[3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]azetidin-3-yl]acetonitrile
CID 154754175
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 56717836) is 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane is Cn1c(CN2CCC3(CCNCC3)C2)nc2ccccc21.
What is the InChIKey of 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is LICMHVYHKKEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-15-5-3-2-4-14(15)19-16(20)12-21-11-8-17(13-21)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3.
What are the key properties of 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 284.41 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56717836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).