N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide

C22H17N5O2 — CID 11545444

IUPACN-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
SMILESN#Cc1ccc2c(c1)[nH]c(=O)n2Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H17N5O2/c23-12-15-7-10-20-19(11-15)26-22(29)27(20)13-14-5-8-16(9-6-14)21(28)25-18-4-2-1-3-17(18)24/h1-11H,13,24H2,(H,25,28)(H,26,29)
InChIKeyYZMCFACIXFCMQH-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.08
Rot. Bonds4

About N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide

N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide (PubChem CID 11545444) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
PubChem CID11545444
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
SMILESN#Cc1ccc2c(c1)[nH]c(=O)n2Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H17N5O2/c23-12-15-7-10-20-19(11-15)26-22(29)27(20)13-14-5-8-16(9-6-14)21(28)25-18-4-2-1-3-17(18)24/h1-11H,13,24H2,(H,25,28)(H,26,29)
InChIKeyYZMCFACIXFCMQH-UHFFFAOYSA-N
XLogP3.08
TPSA116.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide
CID 70324748
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CID 11675218
N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide
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N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 20785789
N-(2-aminophenyl)-4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]benzamide
CID 11682859
N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide
CID 59127375
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(2-aminophenyl)-4-[[(4Z,6Z)-5-methyl-2-oxo-8,9-dihydro-1H-cycloocta[d]imidazol-3-yl]methyl]benzamide;ethane
CID 143247659
N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11667996
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide (CID 11545444) is N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide is N#Cc1ccc2c(c1)[nH]c(=O)n2Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
The InChIKey is YZMCFACIXFCMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c23-12-15-7-10-20-19(11-15)26-22(29)27(20)13-14-5-8-16(9-6-14)21(28)25-18-4-2-1-3-17(18)24/h1-11H,13,24H2,(H,25,28)(H,26,29).
What are the key properties of N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide has a molecular weight of 383.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 11545444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).