(2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide

C21H28N4OS — CID 92628125

IUPAC(2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide
SMILESCCc1nc2ccccc2n1[C@H](C)C(=O)NCCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C21H28N4OS/c1-6-18-23-15-9-7-8-10-16(15)25(18)14(2)20(26)22-12-11-19-24-17(13-27-19)21(3,4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,22,26)/t14-/m1/s1
InChIKeyLMZNXDHQCJPGGZ-CQSZACIVSA-N
MW384.55 g/mol
LogP4.27
Rot. Bonds6

About (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide

(2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide (PubChem CID 92628125) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide
PubChem CID92628125
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name(2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide
SMILESCCc1nc2ccccc2n1[C@H](C)C(=O)NCCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C21H28N4OS/c1-6-18-23-15-9-7-8-10-16(15)25(18)14(2)20(26)22-12-11-19-24-17(13-27-19)21(3,4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,22,26)/t14-/m1/s1
InChIKeyLMZNXDHQCJPGGZ-CQSZACIVSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71701108
(2R)-2-(2-propylbenzimidazol-1-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]propanamide
CID 126423797
2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 63638092
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647020
3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
CID 79405139
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 71703519
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 126795411
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide (CID 92628125) is (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide is CCc1nc2ccccc2n1[C@H](C)C(=O)NCCc1nc(C(C)(C)C)cs1.
What is the InChIKey of (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide?
The InChIKey is LMZNXDHQCJPGGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-6-18-23-15-9-7-8-10-16(15)25(18)14(2)20(26)22-12-11-19-24-17(13-27-19)21(3,4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,22,26)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide?
(2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide has a molecular weight of 384.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 92628125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).