3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol

C14H25N3O — CID 114357777

IUPAC3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)n1cnc2c1CCCC2
InChIInChI=1S/C14H25N3O/c1-14(2,3)13(15)12(8-18)17-9-16-10-6-4-5-7-11(10)17/h9,12-13,18H,4-8,15H2,1-3H3
InChIKeySRUPWWUVTCNUHF-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.67
Rot. Bonds3

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

3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol (PubChem CID 114357777) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
PubChem CID114357777
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)n1cnc2c1CCCC2
InChIInChI=1S/C14H25N3O/c1-14(2,3)13(15)12(8-18)17-9-16-10-6-4-5-7-11(10)17/h9,12-13,18H,4-8,15H2,1-3H3
InChIKeySRUPWWUVTCNUHF-UHFFFAOYSA-N
XLogP1.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol (CID 114357777) is 3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol is CC(C)(C)C(N)C(CO)n1cnc2c1CCCC2.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol?
The InChIKey is SRUPWWUVTCNUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,3)13(15)12(8-18)17-9-16-10-6-4-5-7-11(10)17/h9,12-13,18H,4-8,15H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol?
3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol is sourced from PubChem (CID 114357777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).