N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide

C14H13N3OS — CID 47288761

IUPACN-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C14H13N3OS/c1-9-2-4-11(19-9)7-15-14(18)10-3-5-12-13(6-10)17-8-16-12/h2-6,8H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyIALDNFRQIPBXDA-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.86
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 47288761) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID47288761
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C14H13N3OS/c1-9-2-4-11(19-9)7-15-14(18)10-3-5-12-13(6-10)17-8-16-12/h2-6,8H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyIALDNFRQIPBXDA-UHFFFAOYSA-N
XLogP2.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444788
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 75434360
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 115991489
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110793668

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 47288761) is N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide is Cc1ccc(CNC(=O)c2ccc3nc[nH]c3c2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is IALDNFRQIPBXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-2-4-11(19-9)7-15-14(18)10-3-5-12-13(6-10)17-8-16-12/h2-6,8H,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 47288761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).