4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine

C13H16ClN3O — CID 851996

IUPAC4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCn1c(CN2CCOCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3O/c1-16-12-3-2-10(14)8-11(12)15-13(16)9-17-4-6-18-7-5-17/h2-3,8H,4-7,9H2,1H3
InChIKeyUXYCFHKKDVBDSU-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.06
Rot. Bonds2

About 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine

4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 851996) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
PubChem CID851996
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCn1c(CN2CCOCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3O/c1-16-12-3-2-10(14)8-11(12)15-13(16)9-17-4-6-18-7-5-17/h2-3,8H,4-7,9H2,1H3
InChIKeyUXYCFHKKDVBDSU-UHFFFAOYSA-N
XLogP2.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine (CID 851996) is 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine is Cn1c(CN2CCOCC2)nc2cc(Cl)ccc21.
What is the InChIKey of 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is UXYCFHKKDVBDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-16-12-3-2-10(14)8-11(12)15-13(16)9-17-4-6-18-7-5-17/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine?
4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 265.74 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 851996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).