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

C13H17N3O — CID 3600029

IUPAC4-[(2-methylbenzimidazol-1-yl)methyl]morpholine
SMILESCc1nc2ccccc2n1CN1CCOCC1
InChIInChI=1S/C13H17N3O/c1-11-14-12-4-2-3-5-13(12)16(11)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3
InChIKeyDTWMSQSIPHZWDP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.63
Rot. Bonds2

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

4-[(2-methylbenzimidazol-1-yl)methyl]morpholine (PubChem CID 3600029) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(2-methylbenzimidazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-methylbenzimidazol-1-yl)methyl]morpholine
PubChem CID3600029
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[(2-methylbenzimidazol-1-yl)methyl]morpholine
SMILESCc1nc2ccccc2n1CN1CCOCC1
InChIInChI=1S/C13H17N3O/c1-11-14-12-4-2-3-5-13(12)16(11)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3
InChIKeyDTWMSQSIPHZWDP-UHFFFAOYSA-N
XLogP1.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbenzimidazol-1-yl)methyl]morpholine?
The IUPAC name of 4-[(2-methylbenzimidazol-1-yl)methyl]morpholine (CID 3600029) is 4-[(2-methylbenzimidazol-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-methylbenzimidazol-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-methylbenzimidazol-1-yl)methyl]morpholine is Cc1nc2ccccc2n1CN1CCOCC1.
What is the InChIKey of 4-[(2-methylbenzimidazol-1-yl)methyl]morpholine?
The InChIKey is DTWMSQSIPHZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11-14-12-4-2-3-5-13(12)16(11)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3.
What are the key properties of 4-[(2-methylbenzimidazol-1-yl)methyl]morpholine?
4-[(2-methylbenzimidazol-1-yl)methyl]morpholine has a molecular weight of 231.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbenzimidazol-1-yl)methyl]morpholine is sourced from PubChem (CID 3600029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).