N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine

C25H22N4O — CID 6002699

IUPACN-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine
SMILESCCc1ccc2oc(-c3ccc(C)cc3)c/c(=N\Nc3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C25H22N4O/c1-3-17-10-13-23-19(14-17)22(15-24(30-23)18-11-8-16(2)9-12-18)28-29-25-26-20-6-4-5-7-21(20)27-25/h4-15H,3H2,1-2H3,(H2,26,27,29)/b28-22+
InChIKeyFWCIWYDQUDMWGT-XAYXJRQQSA-N
MW394.48 g/mol
LogP5.77
Rot. Bonds4

About N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine

N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine (PubChem CID 6002699) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine
PubChem CID6002699
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine
SMILESCCc1ccc2oc(-c3ccc(C)cc3)c/c(=N\Nc3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C25H22N4O/c1-3-17-10-13-23-19(14-17)22(15-24(30-23)18-11-8-16(2)9-12-18)28-29-25-26-20-6-4-5-7-21(20)27-25/h4-15H,3H2,1-2H3,(H2,26,27,29)/b28-22+
InChIKeyFWCIWYDQUDMWGT-XAYXJRQQSA-N
XLogP5.77
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
6-ethyl-2-phenylchromen-4-one
CID 10999458
N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine
CID 6018983
N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide
CID 21008809
N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine
CID 6303725
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine
CID 166172583
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline
CID 7730745
N-[[2-(4-methoxyphenyl)-6,8-dimethylchromen-4-ylidene]amino]-1H-benzimidazol-3-ium-2-amine
CID 135488716
N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine
CID 6300670

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine (CID 6002699) is N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine is CCc1ccc2oc(-c3ccc(C)cc3)c/c(=N\Nc3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine?
The InChIKey is FWCIWYDQUDMWGT-XAYXJRQQSA-N. The full InChI is InChI=1S/C25H22N4O/c1-3-17-10-13-23-19(14-17)22(15-24(30-23)18-11-8-16(2)9-12-18)28-29-25-26-20-6-4-5-7-21(20)27-25/h4-15H,3H2,1-2H3,(H2,26,27,29)/b28-22+.
What are the key properties of N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine?
N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine has a molecular weight of 394.48 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 6002699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).