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

C14H14N4OS — CID 110752301

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc(N(C)C(=O)c2ccc3nc[nH]c3c2)sc1C
InChIInChI=1S/C14H14N4OS/c1-8-9(2)20-14(17-8)18(3)13(19)10-4-5-11-12(6-10)16-7-15-11/h4-7H,1-3H3,(H,15,16)
InChIKeyYRYRSZDMPWTYNI-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.91
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 110752301) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide
PubChem CID110752301
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc(N(C)C(=O)c2ccc3nc[nH]c3c2)sc1C
InChIInChI=1S/C14H14N4OS/c1-8-9(2)20-14(17-8)18(3)13(19)10-4-5-11-12(6-10)16-7-15-11/h4-7H,1-3H3,(H,15,16)
InChIKeyYRYRSZDMPWTYNI-UHFFFAOYSA-N
XLogP2.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 110743759
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444788
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
CID 115160757
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
1-(3H-benzimidazol-5-yl)-3-(dimethylamino)prop-2-yn-1-one
CID 116825527
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide (CID 110752301) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide is Cc1nc(N(C)C(=O)c2ccc3nc[nH]c3c2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is YRYRSZDMPWTYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-8-9(2)20-14(17-8)18(3)13(19)10-4-5-11-12(6-10)16-7-15-11/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110752301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).