N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide

C27H22N4O — CID 3526292

IUPACN-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide
SMILESO=C(NN=Cc1c[nH]c2c1ccc1ccccc12)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C27H22N4O/c32-27(21-10-13-23(14-11-21)28-16-19-6-2-1-3-7-19)31-30-18-22-17-29-26-24-9-5-4-8-20(24)12-15-25(22)26/h1-15,17-18,28-29H,16H2,(H,31,32)
InChIKeyIAYXCKKYSKASTB-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.70
Rot. Bonds6

About N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide

N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide (PubChem CID 3526292) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide.

Molecular Properties

Compound NameN-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide
PubChem CID3526292
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC NameN-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide
SMILESO=C(NN=Cc1c[nH]c2c1ccc1ccccc12)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C27H22N4O/c32-27(21-10-13-23(14-11-21)28-16-19-6-2-1-3-7-19)31-30-18-22-17-29-26-24-9-5-4-8-20(24)12-15-25(22)26/h1-15,17-18,28-29H,16H2,(H,31,32)
InChIKeyIAYXCKKYSKASTB-UHFFFAOYSA-N
XLogP5.70
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide
CID 135647006
N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide
CID 136593729
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3694322
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 5009535
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3484834
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide?
The IUPAC name of N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide (CID 3526292) is N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide.
What is the SMILES notation for N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide?
The canonical SMILES for N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide is O=C(NN=Cc1c[nH]c2c1ccc1ccccc12)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide?
The InChIKey is IAYXCKKYSKASTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c32-27(21-10-13-23(14-11-21)28-16-19-6-2-1-3-7-19)31-30-18-22-17-29-26-24-9-5-4-8-20(24)12-15-25(22)26/h1-15,17-18,28-29H,16H2,(H,31,32).
What are the key properties of N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide?
N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide has a molecular weight of 418.50 g/mol, XLogP of 5.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide is sourced from PubChem (CID 3526292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).