2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine

C15H18BrN3O — CID 66422945

IUPAC2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
SMILESBrc1ccc2c(c1)nc(CC1CNCCO1)n2C1CC1
InChIInChI=1S/C15H18BrN3O/c16-10-1-4-14-13(7-10)18-15(19(14)11-2-3-11)8-12-9-17-5-6-20-12/h1,4,7,11-12,17H,2-3,5-6,8-9H2
InChIKeyFCTODAADCSAUAY-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.66
Rot. Bonds3

About 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine

2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 66422945) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
PubChem CID66422945
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
SMILESBrc1ccc2c(c1)nc(CC1CNCCO1)n2C1CC1
InChIInChI=1S/C15H18BrN3O/c16-10-1-4-14-13(7-10)18-15(19(14)11-2-3-11)8-12-9-17-5-6-20-12/h1,4,7,11-12,17H,2-3,5-6,8-9H2
InChIKeyFCTODAADCSAUAY-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine (CID 66422945) is 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine is Brc1ccc2c(c1)nc(CC1CNCCO1)n2C1CC1.
What is the InChIKey of 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is FCTODAADCSAUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-10-1-4-14-13(7-10)18-15(19(14)11-2-3-11)8-12-9-17-5-6-20-12/h1,4,7,11-12,17H,2-3,5-6,8-9H2.
What are the key properties of 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine?
2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 336.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 66422945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).