4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine

C17H27N3 — CID 79750506

IUPAC4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCn1c(CCC(C)CNC(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3/c1-5-20-16-9-7-6-8-15(16)19-17(20)11-10-14(4)12-18-13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyJEGPKQAYHAXRIZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.62
Rot. Bonds7

About 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine

4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79750506) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79750506
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCn1c(CCC(C)CNC(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3/c1-5-20-16-9-7-6-8-15(16)19-17(20)11-10-14(4)12-18-13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyJEGPKQAYHAXRIZ-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
CID 79750345
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
2-(4-bromohexyl)-1-ethylbenzimidazole
CID 79751263

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 79750506) is 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine is CCn1c(CCC(C)CNC(C)C)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is JEGPKQAYHAXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-20-16-9-7-6-8-15(16)19-17(20)11-10-14(4)12-18-13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79750506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).