4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol

C16H25N3O — CID 64897574

IUPAC4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)Cn1c(CC)nc2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-10-17-13(9-11-20)12-19-15-8-6-5-7-14(15)18-16(19)4-2/h5-8,13,17,20H,3-4,9-12H2,1-2H3
InChIKeyXDASIAHBAONHMH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds8

About 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol

4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol (PubChem CID 64897574) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol
PubChem CID64897574
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)Cn1c(CC)nc2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-10-17-13(9-11-20)12-19-15-8-6-5-7-14(15)18-16(19)4-2/h5-8,13,17,20H,3-4,9-12H2,1-2H3
InChIKeyXDASIAHBAONHMH-UHFFFAOYSA-N
XLogP2.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-methylbenzimidazol-1-yl)butan-1-ol
CID 64897355
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 79756659
3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63902276
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
CID 63104680
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol (CID 64897574) is 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol is CCCNC(CCO)Cn1c(CC)nc2ccccc21.
What is the InChIKey of 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol?
The InChIKey is XDASIAHBAONHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-10-17-13(9-11-20)12-19-15-8-6-5-7-14(15)18-16(19)4-2/h5-8,13,17,20H,3-4,9-12H2,1-2H3.
What are the key properties of 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol?
4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol has a molecular weight of 275.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64897574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).