N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide

C23H23N5O — CID 88993158

IUPACN-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
SMILESCCCn1c(Nc2ccc(C(=O)Nc3ccccc3N)cc2)nc2ccccc21
InChIInChI=1S/C23H23N5O/c1-2-15-28-21-10-6-5-9-20(21)27-23(28)25-17-13-11-16(12-14-17)22(29)26-19-8-4-3-7-18(19)24/h3-14H,2,15,24H2,1H3,(H,25,27)(H,26,29)
InChIKeyQCXFQTXJWHRYNY-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.02
Rot. Bonds6

About N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide

N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide (PubChem CID 88993158) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
PubChem CID88993158
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
SMILESCCCn1c(Nc2ccc(C(=O)Nc3ccccc3N)cc2)nc2ccccc21
InChIInChI=1S/C23H23N5O/c1-2-15-28-21-10-6-5-9-20(21)27-23(28)25-17-13-11-16(12-14-17)22(29)26-19-8-4-3-7-18(19)24/h3-14H,2,15,24H2,1H3,(H,25,27)(H,26,29)
InChIKeyQCXFQTXJWHRYNY-UHFFFAOYSA-N
XLogP5.02
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.02
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-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide
CID 141267231
2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
CID 91927564
N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide
CID 91225825
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 7408843
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 137378369
N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838498
4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
CID 50838506

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide (CID 88993158) is N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide is CCCn1c(Nc2ccc(C(=O)Nc3ccccc3N)cc2)nc2ccccc21.
What is the InChIKey of N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide?
The InChIKey is QCXFQTXJWHRYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-15-28-21-10-6-5-9-20(21)27-23(28)25-17-13-11-16(12-14-17)22(29)26-19-8-4-3-7-18(19)24/h3-14H,2,15,24H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide?
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide has a molecular weight of 385.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide is sourced from PubChem (CID 88993158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).