(2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine

C19H21N3O — CID 57395287

IUPAC(2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine
SMILESCc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1
InChIInChI=1S/C19H21N3O/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1
InChIKeyIGUBZXXWVQQSPY-GOSISDBHSA-N
MW307.40 g/mol
LogP3.05
Rot. Bonds3

About (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine

(2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine (PubChem CID 57395287) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine
PubChem CID57395287
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine
SMILESCc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1
InChIInChI=1S/C19H21N3O/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1
InChIKeyIGUBZXXWVQQSPY-GOSISDBHSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine?
The IUPAC name of (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine (CID 57395287) is (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine.
What is the SMILES notation for (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine?
The canonical SMILES for (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine is Cc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1.
What is the InChIKey of (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine?
The InChIKey is IGUBZXXWVQQSPY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine?
(2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine has a molecular weight of 307.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine is sourced from PubChem (CID 57395287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).