2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride

C22H24Cl2N4O — CID 154890014

IUPAC2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2ncn(CC3CNCCO3)c2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H22N4O.2ClH/c1-2-6-16(7-3-1)21-22(20-12-17-8-4-5-9-19(17)25-20)26(15-24-21)14-18-13-23-10-11-27-18;;/h1-9,12,15,18,23,25H,10-11,13-14H2;2*1H
InChIKeyNAONIELUBJZNIY-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.53
Rot. Bonds4

About 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride

2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride (PubChem CID 154890014) has the molecular formula C22H24Cl2N4O and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride
PubChem CID154890014
Molecular FormulaC22H24Cl2N4O
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC Name2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2ncn(CC3CNCCO3)c2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H22N4O.2ClH/c1-2-6-16(7-3-1)21-22(20-12-17-8-4-5-9-19(17)25-20)26(15-24-21)14-18-13-23-10-11-27-18;;/h1-9,12,15,18,23,25H,10-11,13-14H2;2*1H
InChIKeyNAONIELUBJZNIY-UHFFFAOYSA-N
XLogP4.53
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]morpholine
CID 95123859
3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile
CID 50983448
2-(3-chloropropyl)morpholine;quinoline
CID 174868921
5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
CID 95138059
7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride
CID 154922445
N-methyl-N-(morpholin-2-ylmethyl)quinazolin-2-amine
CID 114789529
3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol
CID 50970566
(2R)-2-[3-[3-(benzimidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120840254
(2S)-2-(tetrazol-2-ylmethyl)morpholine
CID 141231933
2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
CID 6932395
2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride
CID 171686957
2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride
CID 154922035

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride?
The IUPAC name of 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride (CID 154890014) is 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride.
What is the SMILES notation for 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride?
The canonical SMILES for 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride is Cl.Cl.c1ccc(-c2ncn(CC3CNCCO3)c2-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride?
The InChIKey is NAONIELUBJZNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.2ClH/c1-2-6-16(7-3-1)21-22(20-12-17-8-4-5-9-19(17)25-20)26(15-24-21)14-18-13-23-10-11-27-18;;/h1-9,12,15,18,23,25H,10-11,13-14H2;2*1H.
What are the key properties of 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride?
2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride has a molecular weight of 431.37 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride is sourced from PubChem (CID 154890014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).