2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol

C16H15N5O — CID 136679336

IUPAC2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol
SMILESCn1ccnc1-c1nc(-c2ccccc2O)n2ccn(C)c12
InChIInChI=1S/C16H15N5O/c1-19-8-7-17-15(19)13-16-20(2)9-10-21(16)14(18-13)11-5-3-4-6-12(11)22/h3-10,22H,1-2H3
InChIKeyICCNPNJAYWVZJM-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.45
Rot. Bonds2

About 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol

2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol (PubChem CID 136679336) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol
PubChem CID136679336
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol
SMILESCn1ccnc1-c1nc(-c2ccccc2O)n2ccn(C)c12
InChIInChI=1S/C16H15N5O/c1-19-8-7-17-15(19)13-16-20(2)9-10-21(16)14(18-13)11-5-3-4-6-12(11)22/h3-10,22H,1-2H3
InChIKeyICCNPNJAYWVZJM-UHFFFAOYSA-N
XLogP2.45
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
2-(2'-Hydroxyphenyl)imidazo(1,2-a)pyridine
CID 610910
2-[5-[Ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol
CID 155804541
2-(1-(3,3-dimethylbutyl)-1H-imidazol-5-yl)phenol
CID 44468002
2-(3-Methylimidazol-4-yl)phenol
CID 84732043
5-Fluoro-2-[[[3-(1-methylimidazol-4-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807266
2-[3-(Benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 809543
2-(3-(t-Butylamino)imidazo[1,2-a]pyridin-2-yl)phenol
CID 860271
3-(4-{1-[(1-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}pyridin-2-yl)phenol
CID 50954402
4-[3-(3-Imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol
CID 50960806
2-[3-(Benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674313
2-[3-(Tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 136234239

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol?
The IUPAC name of 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol (CID 136679336) is 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol.
What is the SMILES notation for 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol?
The canonical SMILES for 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol is Cn1ccnc1-c1nc(-c2ccccc2O)n2ccn(C)c12.
What is the InChIKey of 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol?
The InChIKey is ICCNPNJAYWVZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-19-8-7-17-15(19)13-16-20(2)9-10-21(16)14(18-13)11-5-3-4-6-12(11)22/h3-10,22H,1-2H3.
What are the key properties of 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol?
2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol has a molecular weight of 293.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-7-(1-methylimidazol-2-yl)imidazo[1,2-c]imidazol-5-yl]phenol is sourced from PubChem (CID 136679336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).