N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide

C19H14BrN3OS — CID 78886873

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)c1sccc1Br
InChIInChI=1S/C19H14BrN3OS/c20-14-8-9-25-18(14)19(24)23-17(12-4-2-1-3-5-12)13-6-7-15-16(10-13)22-11-21-15/h1-11,17H,(H,21,22)(H,23,24)
InChIKeyZGTOVNSSVBNBOJ-UHFFFAOYSA-N
MW412.31 g/mol
LogP4.91
Rot. Bonds4

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide (PubChem CID 78886873) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
PubChem CID78886873
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)c1sccc1Br
InChIInChI=1S/C19H14BrN3OS/c20-14-8-9-25-18(14)19(24)23-17(12-4-2-1-3-5-12)13-6-7-15-16(10-13)22-11-21-15/h1-11,17H,(H,21,22)(H,23,24)
InChIKeyZGTOVNSSVBNBOJ-UHFFFAOYSA-N
XLogP4.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide
CID 78836790
3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
CID 55757567
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 112809173
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 78886869
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78839242
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 17459495
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide (CID 78886873) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide is O=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)c1sccc1Br.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide?
The InChIKey is ZGTOVNSSVBNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c20-14-8-9-25-18(14)19(24)23-17(12-4-2-1-3-5-12)13-6-7-15-16(10-13)22-11-21-15/h1-11,17H,(H,21,22)(H,23,24).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 78886873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).