(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine

C18H21N5O — CID 124942629

IUPAC(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
SMILESCc1ccnc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1
InChIInChI=1S/C18H21N5O/c1-13-7-8-19-18(20-13)16-11-23(9-10-24-16)12-17-21-14-5-3-4-6-15(14)22(17)2/h3-8,16H,9-12H2,1-2H3/t16-/m1/s1
InChIKeyAWNOBSCJSTYNAW-MRXNPFEDSA-N
MW323.40 g/mol
LogP2.25
Rot. Bonds3

About (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine

(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine (PubChem CID 124942629) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
PubChem CID124942629
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
SMILESCc1ccnc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1
InChIInChI=1S/C18H21N5O/c1-13-7-8-19-18(20-13)16-11-23(9-10-24-16)12-17-21-14-5-3-4-6-15(14)22(17)2/h3-8,16H,9-12H2,1-2H3/t16-/m1/s1
InChIKeyAWNOBSCJSTYNAW-MRXNPFEDSA-N
XLogP2.25
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine?
The IUPAC name of (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine (CID 124942629) is (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine.
What is the SMILES notation for (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine?
The canonical SMILES for (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine is Cc1ccnc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1.
What is the InChIKey of (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine?
The InChIKey is AWNOBSCJSTYNAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-7-8-19-18(20-13)16-11-23(9-10-24-16)12-17-21-14-5-3-4-6-15(14)22(17)2/h3-8,16H,9-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine?
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine has a molecular weight of 323.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 124942629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).