N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide

C22H16N4O2 — CID 166424810

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide
SMILESO=C1NCc2c1cccc2C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4O2/c27-21-15-4-3-5-16(17(15)12-23-21)22(28)24-14-10-8-13(9-11-14)20-25-18-6-1-2-7-19(18)26-20/h1-11H,12H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyINWSKDYIPIVAFU-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.73
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide (PubChem CID 166424810) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide
PubChem CID166424810
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide
SMILESO=C1NCc2c1cccc2C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4O2/c27-21-15-4-3-5-16(17(15)12-23-21)22(28)24-14-10-8-13(9-11-14)20-25-18-6-1-2-7-19(18)26-20/h1-11H,12H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyINWSKDYIPIVAFU-UHFFFAOYSA-N
XLogP3.73
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
CID 4622832
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
CID 46823373
N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426418
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 166210491
N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide
CID 135479194
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24659582

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide (CID 166424810) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide is O=C1NCc2c1cccc2C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide?
The InChIKey is INWSKDYIPIVAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c27-21-15-4-3-5-16(17(15)12-23-21)22(28)24-14-10-8-13(9-11-14)20-25-18-6-1-2-7-19(18)26-20/h1-11H,12H2,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide is sourced from PubChem (CID 166424810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).