2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide

C15H21N3OS — CID 46810604

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
SMILESCCn1c(SC(C)C(=O)NC(C)C)nc2ccccc21
InChIInChI=1S/C15H21N3OS/c1-5-18-13-9-7-6-8-12(13)17-15(18)20-11(4)14(19)16-10(2)3/h6-11H,5H2,1-4H3,(H,16,19)
InChIKeyKPJGEEBFFFJZOW-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.06
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide (PubChem CID 46810604) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
PubChem CID46810604
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
SMILESCCn1c(SC(C)C(=O)NC(C)C)nc2ccccc21
InChIInChI=1S/C15H21N3OS/c1-5-18-13-9-7-6-8-12(13)17-15(18)20-11(4)14(19)16-10(2)3/h6-11H,5H2,1-4H3,(H,16,19)
InChIKeyKPJGEEBFFFJZOW-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 40716255
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234509
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
CID 7171358
4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7171444
(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246434
(2S)-1-(4-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 7171396
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60554948
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid
CID 751743
(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 40654359
(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7246705

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide (CID 46810604) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide is CCn1c(SC(C)C(=O)NC(C)C)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide?
The InChIKey is KPJGEEBFFFJZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-5-18-13-9-7-6-8-12(13)17-15(18)20-11(4)14(19)16-10(2)3/h6-11H,5H2,1-4H3,(H,16,19).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide has a molecular weight of 291.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 46810604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).