2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide

C15H22N4OS2 — CID 165389323

IUPAC2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide
SMILESCCCSc1ccc2nc(NC(=O)C(N)CCSC)[nH]c2c1
InChIInChI=1S/C15H22N4OS2/c1-3-7-22-10-4-5-12-13(9-10)18-15(17-12)19-14(20)11(16)6-8-21-2/h4-5,9,11H,3,6-8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyWLWSYGIHNMBBQI-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.08
Rot. Bonds8

About 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide

2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide (PubChem CID 165389323) has the molecular formula C15H22N4OS2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide
PubChem CID165389323
Molecular FormulaC15H22N4OS2
Molecular Weight338.50 g/mol
Exact Mass338.12
IUPAC Name2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide
SMILESCCCSc1ccc2nc(NC(=O)C(N)CCSC)[nH]c2c1
InChIInChI=1S/C15H22N4OS2/c1-3-7-22-10-4-5-12-13(9-10)18-15(17-12)19-14(20)11(16)6-8-21-2/h4-5,9,11H,3,6-8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyWLWSYGIHNMBBQI-UHFFFAOYSA-N
XLogP3.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
CID 2729289
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
CID 2982642
[6-[(E)-pent-3-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21318020
methyl N-[5,6-bis(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
CID 10065812
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119276819
[6-[(E)-but-2-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21328024
(2S)-2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylsulfanylbutanamide
CID 104619288
(2S)-2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfanylbutanamide
CID 61179063
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
(2S)-N-(1H-benzimidazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2596424
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 103950165
[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 70609051

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide?
The IUPAC name of 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide (CID 165389323) is 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide is CCCSc1ccc2nc(NC(=O)C(N)CCSC)[nH]c2c1.
What is the InChIKey of 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide?
The InChIKey is WLWSYGIHNMBBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS2/c1-3-7-22-10-4-5-12-13(9-10)18-15(17-12)19-14(20)11(16)6-8-21-2/h4-5,9,11H,3,6-8,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide?
2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide has a molecular weight of 338.50 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide is sourced from PubChem (CID 165389323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).