(2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine

C19H21N3O — CID 71656422

IUPAC(2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESCc1cc2nc(-c3ccc([C@H]4CNCCO4)cc3)[nH]c2cc1C
InChIInChI=1S/C19H21N3O/c1-12-9-16-17(10-13(12)2)22-19(21-16)15-5-3-14(4-6-15)18-11-20-7-8-23-18/h3-6,9-10,18,20H,7-8,11H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyXTUFXTCPHNTHIW-GOSISDBHSA-N
MW307.40 g/mol
LogP3.51
Rot. Bonds2

About (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine

(2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine (PubChem CID 71656422) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine
PubChem CID71656422
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESCc1cc2nc(-c3ccc([C@H]4CNCCO4)cc3)[nH]c2cc1C
InChIInChI=1S/C19H21N3O/c1-12-9-16-17(10-13(12)2)22-19(21-16)15-5-3-14(4-6-15)18-11-20-7-8-23-18/h3-6,9-10,18,20H,7-8,11H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyXTUFXTCPHNTHIW-GOSISDBHSA-N
XLogP3.51
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine?
The IUPAC name of (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine (CID 71656422) is (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine is Cc1cc2nc(-c3ccc([C@H]4CNCCO4)cc3)[nH]c2cc1C.
What is the InChIKey of (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine?
The InChIKey is XTUFXTCPHNTHIW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-9-16-17(10-13(12)2)22-19(21-16)15-5-3-14(4-6-15)18-11-20-7-8-23-18/h3-6,9-10,18,20H,7-8,11H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine?
(2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine has a molecular weight of 307.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 71656422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).