2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole

C16H22N4 — CID 120908401

IUPAC2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole
SMILESCn1c(CN2CCC3(CCNC3)C2)nc2ccccc21
InChIInChI=1S/C16H22N4/c1-19-14-5-3-2-4-13(14)18-15(19)10-20-9-7-16(12-20)6-8-17-11-16/h2-5,17H,6-12H2,1H3
InChIKeyTWPFWEALSAMXRD-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.76
Rot. Bonds2

About 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole

2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole (PubChem CID 120908401) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole
PubChem CID120908401
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole
SMILESCn1c(CN2CCC3(CCNC3)C2)nc2ccccc21
InChIInChI=1S/C16H22N4/c1-19-14-5-3-2-4-13(14)18-15(19)10-20-9-7-16(12-20)6-8-17-11-16/h2-5,17H,6-12H2,1H3
InChIKeyTWPFWEALSAMXRD-UHFFFAOYSA-N
XLogP1.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717836
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
(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
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765030
2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907965
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 42197449

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole?
The IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole (CID 120908401) is 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole is Cn1c(CN2CCC3(CCNC3)C2)nc2ccccc21.
What is the InChIKey of 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole?
The InChIKey is TWPFWEALSAMXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-14-5-3-2-4-13(14)18-15(19)10-20-9-7-16(12-20)6-8-17-11-16/h2-5,17H,6-12H2,1H3.
What are the key properties of 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole?
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole has a molecular weight of 270.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole is sourced from PubChem (CID 120908401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).