N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine

C18H29N3 — CID 63105068

IUPACN-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine
SMILESCCc1nc2ccccc2n1C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C18H29N3/c1-7-17-20-14-10-8-9-11-15(14)21(17)16(13(2)3)12-19-18(4,5)6/h8-11,13,16,19H,7,12H2,1-6H3
InChIKeyVSZUSBHHDNMKCU-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.18
Rot. Bonds5

About N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine

N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine (PubChem CID 63105068) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine
PubChem CID63105068
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine
SMILESCCc1nc2ccccc2n1C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C18H29N3/c1-7-17-20-14-10-8-9-11-15(14)21(17)16(13(2)3)12-19-18(4,5)6/h8-11,13,16,19H,7,12H2,1-6H3
InChIKeyVSZUSBHHDNMKCU-UHFFFAOYSA-N
XLogP4.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine
CID 62563007
1-but-3-en-2-yl-2-ethylbenzimidazole
CID 116622499
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
CID 79405139
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79757629
methyl 3-(2-ethylbenzimidazol-1-yl)butanoate
CID 63106169
1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
CID 63104680
3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol
CID 114357790
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine (CID 63105068) is N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine is CCc1nc2ccccc2n1C(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine?
The InChIKey is VSZUSBHHDNMKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-7-17-20-14-10-8-9-11-15(14)21(17)16(13(2)3)12-19-18(4,5)6/h8-11,13,16,19H,7,12H2,1-6H3.
What are the key properties of N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine?
N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 63105068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).