3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol

C15H27N3O — CID 114357784

IUPAC3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol
SMILESCc1nc2c(n1C(CO)C(N)CC(C)C)CCCC2
InChIInChI=1S/C15H27N3O/c1-10(2)8-12(16)15(9-19)18-11(3)17-13-6-4-5-7-14(13)18/h10,12,15,19H,4-9,16H2,1-3H3
InChIKeyOETSEFUIQJSFNQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.98
Rot. Bonds5

About 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol

3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol (PubChem CID 114357784) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol
PubChem CID114357784
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol
SMILESCc1nc2c(n1C(CO)C(N)CC(C)C)CCCC2
InChIInChI=1S/C15H27N3O/c1-10(2)8-12(16)15(9-19)18-11(3)17-13-6-4-5-7-14(13)18/h10,12,15,19H,4-9,16H2,1-3H3
InChIKeyOETSEFUIQJSFNQ-UHFFFAOYSA-N
XLogP1.98
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol?
The IUPAC name of 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol (CID 114357784) is 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol?
The canonical SMILES for 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol is Cc1nc2c(n1C(CO)C(N)CC(C)C)CCCC2.
What is the InChIKey of 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol?
The InChIKey is OETSEFUIQJSFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)8-12(16)15(9-19)18-11(3)17-13-6-4-5-7-14(13)18/h10,12,15,19H,4-9,16H2,1-3H3.
What are the key properties of 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol?
3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol is sourced from PubChem (CID 114357784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).