N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide

C24H17N5O2S — CID 56580014

IUPACN-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)c1cccs1
InChIInChI=1S/C24H17N5O2S/c30-23(17-6-1-2-7-18(17)28-24(31)21-10-5-13-32-21)27-16-11-12-22(25-14-16)29-15-26-19-8-3-4-9-20(19)29/h1-15H,(H,27,30)(H,28,31)
InChIKeyVDCFRVLOZWXNMN-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.99
Rot. Bonds5

About N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 56580014) has the molecular formula C24H17N5O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID56580014
Molecular FormulaC24H17N5O2S
Molecular Weight439.50 g/mol
Exact Mass439.11
IUPAC NameN-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)c1cccs1
InChIInChI=1S/C24H17N5O2S/c30-23(17-6-1-2-7-18(17)28-24(31)21-10-5-13-32-21)27-16-11-12-22(25-14-16)29-15-26-19-8-3-4-9-20(19)29/h1-15H,(H,27,30)(H,28,31)
InChIKeyVDCFRVLOZWXNMN-UHFFFAOYSA-N
XLogP4.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide
CID 56579886
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide
CID 56532118
2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride
CID 119850830
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 134004771
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 56566302
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55581961
N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46531645

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 56580014) is N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)c1cccs1.
What is the InChIKey of N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is VDCFRVLOZWXNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2S/c30-23(17-6-1-2-7-18(17)28-24(31)21-10-5-13-32-21)27-16-11-12-22(25-14-16)29-15-26-19-8-3-4-9-20(19)29/h1-15H,(H,27,30)(H,28,31).
What are the key properties of N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 56580014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).