(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine

C17H18ClN5O — CID 75529629

IUPAC(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine
SMILESClc1cccc(-c2cnc([C@@H]3COCCN3Cc3cnc[nH]3)[nH]2)c1
InChIInChI=1S/C17H18ClN5O/c18-13-3-1-2-12(6-13)15-8-20-17(22-15)16-10-24-5-4-23(16)9-14-7-19-11-21-14/h1-3,6-8,11,16H,4-5,9-10H2,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyRACACMFJSDWKCO-INIZCTEOSA-N
MW343.82 g/mol
LogP3.03
Rot. Bonds4

About (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine

(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine (PubChem CID 75529629) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine
PubChem CID75529629
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine
SMILESClc1cccc(-c2cnc([C@@H]3COCCN3Cc3cnc[nH]3)[nH]2)c1
InChIInChI=1S/C17H18ClN5O/c18-13-3-1-2-12(6-13)15-8-20-17(22-15)16-10-24-5-4-23(16)9-14-7-19-11-21-14/h1-3,6-8,11,16H,4-5,9-10H2,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyRACACMFJSDWKCO-INIZCTEOSA-N
XLogP3.03
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine?
The IUPAC name of (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine (CID 75529629) is (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine.
What is the SMILES notation for (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine?
The canonical SMILES for (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine is Clc1cccc(-c2cnc([C@@H]3COCCN3Cc3cnc[nH]3)[nH]2)c1.
What is the InChIKey of (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine?
The InChIKey is RACACMFJSDWKCO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-13-3-1-2-12(6-13)15-8-20-17(22-15)16-10-24-5-4-23(16)9-14-7-19-11-21-14/h1-3,6-8,11,16H,4-5,9-10H2,(H,19,21)(H,20,22)/t16-/m0/s1.
What are the key properties of (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine?
(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine has a molecular weight of 343.82 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine is sourced from PubChem (CID 75529629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).