1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride

C18H23Cl3N4O2 — CID 154901124

IUPAC1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CNCCO1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1
InChIInChI=1S/C18H21ClN4O2.2ClH/c19-13-3-1-12(2-4-13)18-21-15-5-7-23(11-16(15)22-18)17(24)9-14-10-20-6-8-25-14;;/h1-4,14,20H,5-11H2,(H,21,22);2*1H
InChIKeyBRXOHRYMJMLLGQ-UHFFFAOYSA-N
MW433.77 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride

1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride (PubChem CID 154901124) has the molecular formula C18H23Cl3N4O2 and a molecular weight of 433.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride
PubChem CID154901124
Molecular FormulaC18H23Cl3N4O2
Molecular Weight433.77 g/mol
Exact Mass432.09
IUPAC Name1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CNCCO1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1
InChIInChI=1S/C18H21ClN4O2.2ClH/c19-13-3-1-12(2-4-13)18-21-15-5-7-23(11-16(15)22-18)17(24)9-14-10-20-6-8-25-14;;/h1-4,14,20H,5-11H2,(H,21,22);2*1H
InChIKeyBRXOHRYMJMLLGQ-UHFFFAOYSA-N
XLogP2.84
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.77
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride (CID 154901124) is 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride is Cl.Cl.O=C(CC1CNCCO1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride?
The InChIKey is BRXOHRYMJMLLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2.2ClH/c19-13-3-1-12(2-4-13)18-21-15-5-7-23(11-16(15)22-18)17(24)9-14-10-20-6-8-25-14;;/h1-4,14,20H,5-11H2,(H,21,22);2*1H.
What are the key properties of 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride?
1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride has a molecular weight of 433.77 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 154901124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).