2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol

C15H27N3O — CID 106810123

IUPAC2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
SMILESCCC(N)(CO)CCCn1c(C)nc2c1CCCC2
InChIInChI=1S/C15H27N3O/c1-3-15(16,11-19)9-6-10-18-12(2)17-13-7-4-5-8-14(13)18/h19H,3-11,16H2,1-2H3
InChIKeyKUIIYPGNNDFEFV-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.95
Rot. Bonds6

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

2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol (PubChem CID 106810123) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
PubChem CID106810123
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
SMILESCCC(N)(CO)CCCn1c(C)nc2c1CCCC2
InChIInChI=1S/C15H27N3O/c1-3-15(16,11-19)9-6-10-18-12(2)17-13-7-4-5-8-14(13)18/h19H,3-11,16H2,1-2H3
InChIKeyKUIIYPGNNDFEFV-UHFFFAOYSA-N
XLogP1.95
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol (CID 106810123) is 2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol is CCC(N)(CO)CCCn1c(C)nc2c1CCCC2.
What is the InChIKey of 2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol?
The InChIKey is KUIIYPGNNDFEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-15(16,11-19)9-6-10-18-12(2)17-13-7-4-5-8-14(13)18/h19H,3-11,16H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol?
2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol is sourced from PubChem (CID 106810123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).