N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide

C24H25N5O — CID 73346309

IUPACN-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)N/N=C/c1ccc(N(C)C)c2ccccc12
InChIInChI=1S/C24H25N5O/c1-17-26-21-10-6-7-11-23(21)29(17)15-14-24(30)27-25-16-18-12-13-22(28(2)3)20-9-5-4-8-19(18)20/h4-13,16H,14-15H2,1-3H3,(H,27,30)/b25-16+
InChIKeyQFPKNHAFPFVIHG-PCLIKHOPSA-N
MW399.50 g/mol
LogP4.10
Rot. Bonds6

About N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide

N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide (PubChem CID 73346309) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
PubChem CID73346309
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)N/N=C/c1ccc(N(C)C)c2ccccc12
InChIInChI=1S/C24H25N5O/c1-17-26-21-10-6-7-11-23(21)29(17)15-14-24(30)27-25-16-18-12-13-22(28(2)3)20-9-5-4-8-19(18)20/h4-13,16H,14-15H2,1-3H3,(H,27,30)/b25-16+
InChIKeyQFPKNHAFPFVIHG-PCLIKHOPSA-N
XLogP4.10
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 73346310
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 2754894
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136689088
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9147924
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 9121317
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide (CID 73346309) is N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide is Cc1nc2ccccc2n1CCC(=O)N/N=C/c1ccc(N(C)C)c2ccccc12.
What is the InChIKey of N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
The InChIKey is QFPKNHAFPFVIHG-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17-26-21-10-6-7-11-23(21)29(17)15-14-24(30)27-25-16-18-12-13-22(28(2)3)20-9-5-4-8-19(18)20/h4-13,16H,14-15H2,1-3H3,(H,27,30)/b25-16+.
What are the key properties of N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide has a molecular weight of 399.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 73346309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).