1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole

C21H24N4 — CID 167905680

IUPAC1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole
SMILESCN1CC2(CCN(Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1
InChIInChI=1S/C21H24N4/c1-23-13-21(14-23)10-11-24(15-21)12-17-6-8-18(9-7-17)25-16-22-19-4-2-3-5-20(19)25/h2-9,16H,10-15H2,1H3
InChIKeyFJHUTKOUUCRPBV-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.16
Rot. Bonds3

About 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole

1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole (PubChem CID 167905680) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole
PubChem CID167905680
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole
SMILESCN1CC2(CCN(Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1
InChIInChI=1S/C21H24N4/c1-23-13-21(14-23)10-11-24(15-21)12-17-6-8-18(9-7-17)25-16-22-19-4-2-3-5-20(19)25/h2-9,16H,10-15H2,1H3
InChIKeyFJHUTKOUUCRPBV-UHFFFAOYSA-N
XLogP3.16
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
CID 158199390
2-[[1-[[4-(benzimidazol-1-yl)phenyl]methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043421
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717836
3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol
CID 176913337
4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
CID 86822181
4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 166402905
[4-(benzimidazol-1-yl)phenyl]-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 24620150
7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 118221031
1-(4-ethoxyphenyl)benzimidazole
CID 175001446

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole?
The IUPAC name of 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole (CID 167905680) is 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole.
What is the SMILES notation for 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole?
The canonical SMILES for 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole is CN1CC2(CCN(Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1.
What is the InChIKey of 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole?
The InChIKey is FJHUTKOUUCRPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-23-13-21(14-23)10-11-24(15-21)12-17-6-8-18(9-7-17)25-16-22-19-4-2-3-5-20(19)25/h2-9,16H,10-15H2,1H3.
What are the key properties of 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole?
1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole has a molecular weight of 332.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole is sourced from PubChem (CID 167905680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).