2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide

C22H20N4O3S — CID 118518886

IUPAC2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESCOCc1nc2c(C(=O)Nc3cccs3)cc(NC(=O)c3ccccc3C)cc2[nH]1
InChIInChI=1S/C22H20N4O3S/c1-13-6-3-4-7-15(13)21(27)23-14-10-16(22(28)26-19-8-5-9-30-19)20-17(11-14)24-18(25-20)12-29-2/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25)(H,26,28)
InChIKeyXZLFDKAVDKHDBJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.58
Rot. Bonds6

About 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide

2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 118518886) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID118518886
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESCOCc1nc2c(C(=O)Nc3cccs3)cc(NC(=O)c3ccccc3C)cc2[nH]1
InChIInChI=1S/C22H20N4O3S/c1-13-6-3-4-7-15(13)21(27)23-14-10-16(22(28)26-19-8-5-9-30-19)20-17(11-14)24-18(25-20)12-29-2/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25)(H,26,28)
InChIKeyXZLFDKAVDKHDBJ-UHFFFAOYSA-N
XLogP4.58
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267492
N-(2-fluorophenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71532252
N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 157186053
N-(3-cyano-2-methylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267520
2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 144531984
6-[(5-butoxy-2-chlorobenzoyl)amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 71267459
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267568
6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride
CID 71532204
N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 175751021
6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-N-phenyl-1H-benzimidazole-4-carboxamide
CID 174786730
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
CID 141434696
N-[4-(aminomethyl)phenyl]-6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 174786733

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide (CID 118518886) is 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide is COCc1nc2c(C(=O)Nc3cccs3)cc(NC(=O)c3ccccc3C)cc2[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is XZLFDKAVDKHDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-13-6-3-4-7-15(13)21(27)23-14-10-16(22(28)26-19-8-5-9-30-19)20-17(11-14)24-18(25-20)12-29-2/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25)(H,26,28).
What are the key properties of 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118518886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).