3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol

C14H21N3O — CID 64897355

IUPAC3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol
SMILESCCNC(CCO)Cn1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-3-15-12(8-9-18)10-17-11(2)16-13-6-4-5-7-14(13)17/h4-7,12,15,18H,3,8-10H2,1-2H3
InChIKeySQLUKMDAOQTCEB-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.71
Rot. Bonds6

About 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol

3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol (PubChem CID 64897355) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol
PubChem CID64897355
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol
SMILESCCNC(CCO)Cn1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-3-15-12(8-9-18)10-17-11(2)16-13-6-4-5-7-14(13)17/h4-7,12,15,18H,3,8-10H2,1-2H3
InChIKeySQLUKMDAOQTCEB-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol
CID 64897574
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
1-(2,2-dimethoxyethyl)-2-methylbenzimidazole
CID 66222131
N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747178
N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine
CID 115970703
2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
CID 115971237
3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol
CID 64900571
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol (CID 64897355) is 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol is CCNC(CCO)Cn1c(C)nc2ccccc21.
What is the InChIKey of 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol?
The InChIKey is SQLUKMDAOQTCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-15-12(8-9-18)10-17-11(2)16-13-6-4-5-7-14(13)17/h4-7,12,15,18H,3,8-10H2,1-2H3.
What are the key properties of 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol?
3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol is sourced from PubChem (CID 64897355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).