1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine

C21H29N3O2 — CID 154821862

IUPAC1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(-c2nccn2C2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C21H29N3O2/c1-23(2)16-17-4-3-5-18(14-17)20-22-9-10-24(20)19-6-11-26-21(15-19)7-12-25-13-8-21/h3-5,9-10,14,19H,6-8,11-13,15-16H2,1-2H3
InChIKeyRNFQKRXOZNNDJU-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.51
Rot. Bonds4

About 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine

1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 154821862) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID154821862
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(-c2nccn2C2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C21H29N3O2/c1-23(2)16-17-4-3-5-18(14-17)20-22-9-10-24(20)19-6-11-26-21(15-19)7-12-25-13-8-21/h3-5,9-10,14,19H,6-8,11-13,15-16H2,1-2H3
InChIKeyRNFQKRXOZNNDJU-UHFFFAOYSA-N
XLogP3.51
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
2-(3-chloro-4-propoxyphenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazole
CID 154820410
5-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-2-(2-methylphenyl)pyrimidine
CID 154818731
2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
CID 154823510
4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1-phenyltriazole
CID 154821785
formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
CID 163333896
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 79919368
N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70725853
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(3-methylphenyl)ethanamine
CID 79914739
3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid
CID 163333857
N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70780716
acetic acid;3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-1-oxa-8-azaspiro[4.5]decane
CID 154920020

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine (CID 154821862) is 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1cccc(-c2nccn2C2CCOC3(CCOCC3)C2)c1.
What is the InChIKey of 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is RNFQKRXOZNNDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-23(2)16-17-4-3-5-18(14-17)20-22-9-10-24(20)19-6-11-26-21(15-19)7-12-25-13-8-21/h3-5,9-10,14,19H,6-8,11-13,15-16H2,1-2H3.
What are the key properties of 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine?
1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 355.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 154821862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).