(2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol

C8H16N2O — CID 86340559

IUPAC(2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol
SMILESCCCCC1NC=C(CO)N1
InChIInChI=1S/C8H16N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,8-11H,2-4,6H2,1H3
InChIKeyYPEOBHCDQJPRIB-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.53
Rot. Bonds4

About (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol

(2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol (PubChem CID 86340559) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol
PubChem CID86340559
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol
SMILESCCCCC1NC=C(CO)N1
InChIInChI=1S/C8H16N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,8-11H,2-4,6H2,1H3
InChIKeyYPEOBHCDQJPRIB-UHFFFAOYSA-N
XLogP0.53
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-imidazol-4-ylmethanol
CID 12630193
[3-(3-Ethoxypropyl)-1,2-dihydroimidazol-5-yl]methanol
CID 18673623
(3-Ethyl-1,2-dihydroimidazol-4-yl)methanol
CID 126624535
[3-(2-Methylpropyl)-1,2-dihydroimidazol-4-yl]methanol
CID 129095818
4-(hydroxymethyl)-3-pentyl-1H-imidazole-2-thione
CID 28289743
4-(hydroxymethyl)-3-pentan-2-yl-1H-imidazole-2-thione
CID 66145715
3-[5-(diethylamino)pentan-2-yl]-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66145716
3-[4-(dimethylamino)butyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66146984
3-hexan-2-yl-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66147609
3-hexyl-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66148243
[3-(3-Ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol
CID 86340341
(2-methyl-2,3-dihydro-1H-imidazol-4-yl)methanol
CID 86340537

Frequently Asked Questions

What is the IUPAC name of (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol?
The IUPAC name of (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol (CID 86340559) is (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol.
What is the SMILES notation for (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol?
The canonical SMILES for (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol is CCCCC1NC=C(CO)N1.
What is the InChIKey of (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol?
The InChIKey is YPEOBHCDQJPRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,8-11H,2-4,6H2,1H3.
What are the key properties of (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol?
(2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol has a molecular weight of 156.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-2,3-dihydro-1H-imidazol-4-yl)methanol is sourced from PubChem (CID 86340559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).