2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile

C10H13ClN4O — CID 84741318

IUPAC2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
SMILESCc1nc(Cl)c(C(C#N)N2CCOCC2)[nH]1
InChIInChI=1S/C10H13ClN4O/c1-7-13-9(10(11)14-7)8(6-12)15-2-4-16-5-3-15/h8H,2-5H2,1H3,(H,13,14)
InChIKeyLHFQYZRHGYYILV-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.27
Rot. Bonds2

About 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile

2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile (PubChem CID 84741318) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
PubChem CID84741318
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
SMILESCc1nc(Cl)c(C(C#N)N2CCOCC2)[nH]1
InChIInChI=1S/C10H13ClN4O/c1-7-13-9(10(11)14-7)8(6-12)15-2-4-16-5-3-15/h8H,2-5H2,1H3,(H,13,14)
InChIKeyLHFQYZRHGYYILV-UHFFFAOYSA-N
XLogP1.27
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

({4-[(2-butyl-5-chloro-1H-imidazol-4-yl)methyl]morpholin-2-yl}methyl)amine
CID 56705822
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 65540780
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65541158
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 65541348
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-ethoxypropan-2-amine
CID 65541547
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65542101
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79083031
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile
CID 84739711
2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile
CID 84740311
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile
CID 84740448
2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
CID 84740520
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile
CID 84740526

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile (CID 84741318) is 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile is Cc1nc(Cl)c(C(C#N)N2CCOCC2)[nH]1.
What is the InChIKey of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
The InChIKey is LHFQYZRHGYYILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-7-13-9(10(11)14-7)8(6-12)15-2-4-16-5-3-15/h8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile has a molecular weight of 240.69 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 84741318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).