N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen

C14H18N4OS — CID 145377083

IUPACN-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen
SMILESCC(C)C(=O)Nc1ccc2nc(C3=NCCS3)[nH]c2c1.[H][H]
InChIInChI=1S/C14H16N4OS.H2/c1-8(2)13(19)16-9-3-4-10-11(7-9)18-12(17-10)14-15-5-6-20-14;/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyBMSXQPFYMUJGIZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.90
Rot. Bonds3

About N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen

N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 145377083) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen
PubChem CID145377083
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen
SMILESCC(C)C(=O)Nc1ccc2nc(C3=NCCS3)[nH]c2c1.[H][H]
InChIInChI=1S/C14H16N4OS.H2/c1-8(2)13(19)16-9-3-4-10-11(7-9)18-12(17-10)14-15-5-6-20-14;/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyBMSXQPFYMUJGIZ-UHFFFAOYSA-N
XLogP2.90
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide
CID 84581968
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
CID 62639166
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
CID 110776332
2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116675730
1-[2-(dimethylamino)ethyl]-3-[2-[4-[6-[2-(dimethylamino)ethylcarbamoylamino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]urea
CID 138648973
2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115187183
N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide
CID 10413942

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen (CID 145377083) is N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen is CC(C)C(=O)Nc1ccc2nc(C3=NCCS3)[nH]c2c1.[H][H].
What is the InChIKey of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is BMSXQPFYMUJGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS.H2/c1-8(2)13(19)16-9-3-4-10-11(7-9)18-12(17-10)14-15-5-6-20-14;/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen?
N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 290.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 145377083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).