1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide

C19H17N7O2S — CID 167130273

IUPAC1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3nc(C)n(-c4sc(C)nc4C#N)c3C)[nH]c2c1
InChIInChI=1S/C19H17N7O2S/c1-9-16(21-10(2)26(9)18-15(8-20)22-11(3)29-18)17(27)25-19-23-13-6-5-12(28-4)7-14(13)24-19/h5-7H,1-4H3,(H2,23,24,25,27)
InChIKeyJEXGEWVLVCWTAP-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide

1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide (PubChem CID 167130273) has the molecular formula C19H17N7O2S and a molecular weight of 407.46 g/mol. Its IUPAC name is 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide
PubChem CID167130273
Molecular FormulaC19H17N7O2S
Molecular Weight407.46 g/mol
Exact Mass407.12
IUPAC Name1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3nc(C)n(-c4sc(C)nc4C#N)c3C)[nH]c2c1
InChIInChI=1S/C19H17N7O2S/c1-9-16(21-10(2)26(9)18-15(8-20)22-11(3)29-18)17(27)25-19-23-13-6-5-12(28-4)7-14(13)24-19/h5-7H,1-4H3,(H2,23,24,25,27)
InChIKeyJEXGEWVLVCWTAP-UHFFFAOYSA-N
XLogP3.26
TPSA121.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-carbamoyl-5-methylthiophen-2-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 166058672
4-N-(2,4-dimethylphenyl)-5-N-(6-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984419
N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide
CID 167130281
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide
CID 167130276
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide
CID 167780321
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 35808128
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide (CID 167130273) is 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide is COc1ccc2nc(NC(=O)c3nc(C)n(-c4sc(C)nc4C#N)c3C)[nH]c2c1.
What is the InChIKey of 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide?
The InChIKey is JEXGEWVLVCWTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2S/c1-9-16(21-10(2)26(9)18-15(8-20)22-11(3)29-18)17(27)25-19-23-13-6-5-12(28-4)7-14(13)24-19/h5-7H,1-4H3,(H2,23,24,25,27).
What are the key properties of 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide?
1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 167130273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).