1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol

C22H43N3O — CID 20545529

IUPAC1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol
SMILESCCCCC(CC)CN(CC(O)Cc1ncc[nH]1)CC(CC)CCCC
InChIInChI=1S/C22H43N3O/c1-5-9-11-19(7-3)16-25(17-20(8-4)12-10-6-2)18-21(26)15-22-23-13-14-24-22/h13-14,19-21,26H,5-12,15-18H2,1-4H3,(H,23,24)
InChIKeyKGDOOGDSQSKCMJ-UHFFFAOYSA-N
MW365.61 g/mol
LogP5.05
Rot. Bonds16

About 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol

1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol (PubChem CID 20545529) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol
PubChem CID20545529
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Name1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol
SMILESCCCCC(CC)CN(CC(O)Cc1ncc[nH]1)CC(CC)CCCC
InChIInChI=1S/C22H43N3O/c1-5-9-11-19(7-3)16-25(17-20(8-4)12-10-6-2)18-21(26)15-22-23-13-14-24-22/h13-14,19-21,26H,5-12,15-18H2,1-4H3,(H,23,24)
InChIKeyKGDOOGDSQSKCMJ-UHFFFAOYSA-N
XLogP5.05
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-2-ylmethyl)undecan-5-ol
CID 161238769
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole
CID 70555368
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
1-(1H-imidazol-2-yl)-N-methylundecan-2-amine
CID 65450081
N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
CID 114752420
2-butyl-1H-imidazole;hydrochloride
CID 141134528
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
2-decyl-1H-imidazole
CID 3089145
2-octadecyl-1H-imidazole
CID 54221067
2-octyl-1H-imidazole
CID 18347297

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol?
The IUPAC name of 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol (CID 20545529) is 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol is CCCCC(CC)CN(CC(O)Cc1ncc[nH]1)CC(CC)CCCC.
What is the InChIKey of 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol?
The InChIKey is KGDOOGDSQSKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O/c1-5-9-11-19(7-3)16-25(17-20(8-4)12-10-6-2)18-21(26)15-22-23-13-14-24-22/h13-14,19-21,26H,5-12,15-18H2,1-4H3,(H,23,24).
What are the key properties of 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol?
1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol has a molecular weight of 365.61 g/mol, XLogP of 5.05, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol is sourced from PubChem (CID 20545529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).