(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol

C12H22N4O — CID 114272651

IUPAC(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol
SMILESCN1CCCN(C)C(C(O)c2cn(C)cn2)C1
InChIInChI=1S/C12H22N4O/c1-14-5-4-6-16(3)11(8-14)12(17)10-7-15(2)9-13-10/h7,9,11-12,17H,4-6,8H2,1-3H3
InChIKeyIVVYXNSQNCVCIZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.09
Rot. Bonds2

About (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol

(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol (PubChem CID 114272651) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol
PubChem CID114272651
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol
SMILESCN1CCCN(C)C(C(O)c2cn(C)cn2)C1
InChIInChI=1S/C12H22N4O/c1-14-5-4-6-16(3)11(8-14)12(17)10-7-15(2)9-13-10/h7,9,11-12,17H,4-6,8H2,1-3H3
InChIKeyIVVYXNSQNCVCIZ-UHFFFAOYSA-N
XLogP0.09
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol?
The IUPAC name of (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol (CID 114272651) is (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol.
What is the SMILES notation for (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol?
The canonical SMILES for (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol is CN1CCCN(C)C(C(O)c2cn(C)cn2)C1.
What is the InChIKey of (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol?
The InChIKey is IVVYXNSQNCVCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-14-5-4-6-16(3)11(8-14)12(17)10-7-15(2)9-13-10/h7,9,11-12,17H,4-6,8H2,1-3H3.
What are the key properties of (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol?
(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol has a molecular weight of 238.33 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 114272651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).