(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol

C11H18N2O — CID 59086011

IUPAC(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol
SMILESCc1nc2c(n1C)CCCCC2CO
InChIInChI=1S/C11H18N2O/c1-8-12-11-9(7-14)5-3-4-6-10(11)13(8)2/h9,14H,3-7H2,1-2H3
InChIKeySXHQKZFJQRYWER-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.53
Rot. Bonds1

About (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol

(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol (PubChem CID 59086011) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol.

Molecular Properties

Compound Name(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol
PubChem CID59086011
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol
SMILESCc1nc2c(n1C)CCCCC2CO
InChIInChI=1S/C11H18N2O/c1-8-12-11-9(7-14)5-3-4-6-10(11)13(8)2/h9,14H,3-7H2,1-2H3
InChIKeySXHQKZFJQRYWER-UHFFFAOYSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol?
The IUPAC name of (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol (CID 59086011) is (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol.
What is the SMILES notation for (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol?
The canonical SMILES for (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol is Cc1nc2c(n1C)CCCCC2CO.
What is the InChIKey of (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol?
The InChIKey is SXHQKZFJQRYWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-12-11-9(7-14)5-3-4-6-10(11)13(8)2/h9,14H,3-7H2,1-2H3.
What are the key properties of (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol?
(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol has a molecular weight of 194.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol is sourced from PubChem (CID 59086011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).