N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

C20H17N3O2S — CID 35808128

IUPACN-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc4ccccc4[nH]3)sc2C)cc1
InChIInChI=1S/C20H17N3O2S/c1-12-15(13-7-9-14(25-2)10-8-13)11-18(26-12)19(24)23-20-21-16-5-3-4-6-17(16)22-20/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyHEMXOJAMNHLJHE-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.86
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 35808128) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID35808128
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc4ccccc4[nH]3)sc2C)cc1
InChIInChI=1S/C20H17N3O2S/c1-12-15(13-7-9-14(25-2)10-8-13)11-18(26-12)19(24)23-20-21-16-5-3-4-6-17(16)22-20/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyHEMXOJAMNHLJHE-UHFFFAOYSA-N
XLogP4.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79934420
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
N-(1H-benzimidazol-2-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 52667720
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 35807692
N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46445811
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
methyl 5-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoyl]-3-methylthiophene-2-carboxylate
CID 167810499
N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18108001

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 35808128) is N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is COc1ccc(-c2cc(C(=O)Nc3nc4ccccc4[nH]3)sc2C)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is HEMXOJAMNHLJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-15(13-7-9-14(25-2)10-8-13)11-18(26-12)19(24)23-20-21-16-5-3-4-6-17(16)22-20/h3-11H,1-2H3,(H2,21,22,23,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 35808128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).