N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide

C18H18N4OS — CID 110796353

IUPACN-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESCn1c(-c2ccccc2)nc2cc(NC(=O)C3CSCN3)ccc21
InChIInChI=1S/C18H18N4OS/c1-22-16-8-7-13(20-18(23)15-10-24-11-19-15)9-14(16)21-17(22)12-5-3-2-4-6-12/h2-9,15,19H,10-11H2,1H3,(H,20,23)
InChIKeyGSMKRINVNNJPQT-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.84
Rot. Bonds3

About N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide

N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 110796353) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID110796353
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESCn1c(-c2ccccc2)nc2cc(NC(=O)C3CSCN3)ccc21
InChIInChI=1S/C18H18N4OS/c1-22-16-8-7-13(20-18(23)15-10-24-11-19-15)9-14(16)21-17(22)12-5-3-2-4-6-12/h2-9,15,19H,10-11H2,1H3,(H,20,23)
InChIKeyGSMKRINVNNJPQT-UHFFFAOYSA-N
XLogP2.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559
N-quinoxalin-6-yl-1,3-thiazolidine-4-carboxamide
CID 54862020
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 110745260
N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119305675
N-(2-methyl-4-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119832878
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
N-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43711254
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 24698635
N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119318629

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide (CID 110796353) is N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide is Cn1c(-c2ccccc2)nc2cc(NC(=O)C3CSCN3)ccc21.
What is the InChIKey of N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GSMKRINVNNJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-22-16-8-7-13(20-18(23)15-10-24-11-19-15)9-14(16)21-17(22)12-5-3-2-4-6-12/h2-9,15,19H,10-11H2,1H3,(H,20,23).
What are the key properties of N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide?
N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).