1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine

C16H25N3 — CID 62828153

IUPAC1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C16H25N3/c1-6-17-12(2)11-15-18-13-9-7-8-10-14(13)19(15)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3
InChIKeyHYYXYSPQKUKURD-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.33
Rot. Bonds4

About 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine

1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine (PubChem CID 62828153) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine
PubChem CID62828153
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C16H25N3/c1-6-17-12(2)11-15-18-13-9-7-8-10-14(13)19(15)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3
InChIKeyHYYXYSPQKUKURD-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methylimidazo[4,5-c]pyridin-2-yl)propan-2-amine
CID 114793263
3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine
CID 43152020
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 43655437
3-(1-tert-butylbenzimidazol-2-yl)propanoic acid
CID 43142589
4-[(1-tert-butylbenzimidazol-2-yl)methyl]aniline
CID 43142702
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine
CID 62827798
1-(5-chloro-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827617
N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116758110
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
CID 105007782
5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid
CID 43446748

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine (CID 62828153) is 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine is CCNC(C)Cc1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The InChIKey is HYYXYSPQKUKURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-17-12(2)11-15-18-13-9-7-8-10-14(13)19(15)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3.
What are the key properties of 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 62828153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).