4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide

C19H21N3O2S — CID 30178636

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide
SMILESCCCn1c(NC(=O)CCC(=O)c2ccc(C)s2)nc2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-3-12-22-15-7-5-4-6-14(15)20-19(22)21-18(24)11-9-16(23)17-10-8-13(2)25-17/h4-8,10H,3,9,11-12H2,1-2H3,(H,20,21,24)
InChIKeyMKWQYTNBOMYTJY-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.42
Rot. Bonds7

About 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide (PubChem CID 30178636) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide
PubChem CID30178636
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide
SMILESCCCn1c(NC(=O)CCC(=O)c2ccc(C)s2)nc2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-3-12-22-15-7-5-4-6-14(15)20-19(22)21-18(24)11-9-16(23)17-10-8-13(2)25-17/h4-8,10H,3,9,11-12H2,1-2H3,(H,20,21,24)
InChIKeyMKWQYTNBOMYTJY-UHFFFAOYSA-N
XLogP4.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 46692768
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 71943584
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid
CID 19492211
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350
N-(1-propylbenzimidazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17492735
3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide
CID 17491078
(3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide
CID 25325085
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide (CID 30178636) is 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide is CCCn1c(NC(=O)CCC(=O)c2ccc(C)s2)nc2ccccc21.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide?
The InChIKey is MKWQYTNBOMYTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-12-22-15-7-5-4-6-14(15)20-19(22)21-18(24)11-9-16(23)17-10-8-13(2)25-17/h4-8,10H,3,9,11-12H2,1-2H3,(H,20,21,24).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide has a molecular weight of 355.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide is sourced from PubChem (CID 30178636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).