1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol

C15H23N3O — CID 79754270

IUPAC1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
SMILESCCCn1c(CC(O)CN(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-4-9-18-14-8-6-5-7-13(14)16-15(18)10-12(19)11-17(2)3/h5-8,12,19H,4,9-11H2,1-3H3
InChIKeyQVIYTONHKNDEOL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.91
Rot. Bonds6

About 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol

1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol (PubChem CID 79754270) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
PubChem CID79754270
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
SMILESCCCn1c(CC(O)CN(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-4-9-18-14-8-6-5-7-13(14)16-15(18)10-12(19)11-17(2)3/h5-8,12,19H,4,9-11H2,1-3H3
InChIKeyQVIYTONHKNDEOL-UHFFFAOYSA-N
XLogP1.91
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79757629
1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 103089740
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
1,3-bis[bis(1-propylbenzimidazol-2-yl)amino]propan-2-ol
CID 90842825
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol (CID 79754270) is 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol is CCCn1c(CC(O)CN(C)C)nc2ccccc21.
What is the InChIKey of 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is QVIYTONHKNDEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-9-18-14-8-6-5-7-13(14)16-15(18)10-12(19)11-17(2)3/h5-8,12,19H,4,9-11H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 261.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79754270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).