2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol

C17H27N3O — CID 115971235

IUPAC2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol
SMILESCCCc1nc2ccccc2n1CCC(C)(CO)NCC
InChIInChI=1S/C17H27N3O/c1-4-8-16-19-14-9-6-7-10-15(14)20(16)12-11-17(3,13-21)18-5-2/h6-7,9-10,18,21H,4-5,8,11-13H2,1-3H3
InChIKeyQFVNXUIFDRMLTE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds8

About 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol

2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol (PubChem CID 115971235) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol
PubChem CID115971235
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol
SMILESCCCc1nc2ccccc2n1CCC(C)(CO)NCC
InChIInChI=1S/C17H27N3O/c1-4-8-16-19-14-9-6-7-10-15(14)20(16)12-11-17(3,13-21)18-5-2/h6-7,9-10,18,21H,4-5,8,11-13H2,1-3H3
InChIKeyQFVNXUIFDRMLTE-UHFFFAOYSA-N
XLogP2.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
CID 64809415
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanamide
CID 115970917
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
CID 115970980
1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
CID 107391401
2-cyclopropyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
CID 115971231
2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 116626955
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol (CID 115971235) is 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol is CCCc1nc2ccccc2n1CCC(C)(CO)NCC.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol?
The InChIKey is QFVNXUIFDRMLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-8-16-19-14-9-6-7-10-15(14)20(16)12-11-17(3,13-21)18-5-2/h6-7,9-10,18,21H,4-5,8,11-13H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol?
2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol is sourced from PubChem (CID 115971235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).