N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide

C16H23N5O2 — CID 120662142

IUPACN'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCOc1ccc2c(c1)nc(C/N=C(\N)N1CCOC(C)C1)n2C
InChIInChI=1S/C16H23N5O2/c1-11-10-21(6-7-23-11)16(17)18-9-15-19-13-8-12(22-3)4-5-14(13)20(15)2/h4-5,8,11H,6-7,9-10H2,1-3H3,(H2,17,18)
InChIKeyDPQAHSKMONWWJI-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.12
Rot. Bonds3

About N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide

N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120662142) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120662142
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCOc1ccc2c(c1)nc(C/N=C(\N)N1CCOC(C)C1)n2C
InChIInChI=1S/C16H23N5O2/c1-11-10-21(6-7-23-11)16(17)18-9-15-19-13-8-12(22-3)4-5-14(13)20(15)2/h4-5,8,11H,6-7,9-10H2,1-3H3,(H2,17,18)
InChIKeyDPQAHSKMONWWJI-UHFFFAOYSA-N
XLogP1.12
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide (CID 120662142) is N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide is COc1ccc2c(c1)nc(C/N=C(\N)N1CCOC(C)C1)n2C.
What is the InChIKey of N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is DPQAHSKMONWWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-10-21(6-7-23-11)16(17)18-9-15-19-13-8-12(22-3)4-5-14(13)20(15)2/h4-5,8,11H,6-7,9-10H2,1-3H3,(H2,17,18).
What are the key properties of N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 317.39 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120662142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).