N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide

C20H18N4OS — CID 56884558

IUPACN,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)Cc3csc(-c4ccccc4)n3)cc2[nH]1
InChIInChI=1S/C20H18N4OS/c1-13-21-17-9-8-15(10-18(17)22-13)20(25)24(2)11-16-12-26-19(23-16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyICZVALYGCMWHJM-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.27
Rot. Bonds4

About N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide

N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 56884558) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID56884558
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)Cc3csc(-c4ccccc4)n3)cc2[nH]1
InChIInChI=1S/C20H18N4OS/c1-13-21-17-9-8-15(10-18(17)22-13)20(25)24(2)11-16-12-26-19(23-16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyICZVALYGCMWHJM-UHFFFAOYSA-N
XLogP4.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide 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-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 56888778
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 56911908
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 56897241
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100579292
N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 56909680
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 56888348
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109423416
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 95875737

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 56884558) is N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)N(C)Cc3csc(-c4ccccc4)n3)cc2[nH]1.
What is the InChIKey of N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ICZVALYGCMWHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-21-17-9-8-15(10-18(17)22-13)20(25)24(2)11-16-12-26-19(23-16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56884558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).