1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol

C14H20N2O2 — CID 79753857

IUPAC1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
SMILESCCCOCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H20N2O2/c1-3-8-18-10-11(17)9-14-15-12-6-4-5-7-13(12)16(14)2/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeyGDFBUUACYDNDQS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.90
Rot. Bonds6

About 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol

1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol (PubChem CID 79753857) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
PubChem CID79753857
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
SMILESCCCOCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H20N2O2/c1-3-8-18-10-11(17)9-14-15-12-6-4-5-7-13(12)16(14)2/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeyGDFBUUACYDNDQS-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 79754356
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 103560180

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol (CID 79753857) is 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol is CCCOCC(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol?
The InChIKey is GDFBUUACYDNDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-8-18-10-11(17)9-14-15-12-6-4-5-7-13(12)16(14)2/h4-7,11,17H,3,8-10H2,1-2H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol?
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol has a molecular weight of 248.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol is sourced from PubChem (CID 79753857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).