2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol

C14H21N3O — CID 64809415

IUPAC2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
SMILESCCc1nc2ccccc2n1CCC(C)(N)CO
InChIInChI=1S/C14H21N3O/c1-3-13-16-11-6-4-5-7-12(11)17(13)9-8-14(2,15)10-18/h4-7,18H,3,8-10,15H2,1-2H3
InChIKeyYTDKCCLHVAJMGS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.70
Rot. Bonds5

About 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol

2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol (PubChem CID 64809415) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
PubChem CID64809415
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
SMILESCCc1nc2ccccc2n1CCC(C)(N)CO
InChIInChI=1S/C14H21N3O/c1-3-13-16-11-6-4-5-7-12(11)17(13)9-8-14(2,15)10-18/h4-7,18H,3,8-10,15H2,1-2H3
InChIKeyYTDKCCLHVAJMGS-UHFFFAOYSA-N
XLogP1.70
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
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2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol
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1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
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2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
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2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
CID 63106730
2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
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CID 63105255

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol (CID 64809415) is 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol is CCc1nc2ccccc2n1CCC(C)(N)CO.
What is the InChIKey of 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol?
The InChIKey is YTDKCCLHVAJMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-13-16-11-6-4-5-7-12(11)17(13)9-8-14(2,15)10-18/h4-7,18H,3,8-10,15H2,1-2H3.
What are the key properties of 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol?
2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 64809415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).