N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine

C22H18N4O — CID 56968877

IUPACN-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine
SMILESc1ccc(C2C/C(=N/Nc3nc4ccccc4[nH]3)c3ccccc3O2)cc1
InChIInChI=1S/C22H18N4O/c1-2-8-15(9-3-1)21-14-19(16-10-4-7-13-20(16)27-21)25-26-22-23-17-11-5-6-12-18(17)24-22/h1-13,21H,14H2,(H2,23,24,26)/b25-19-
InChIKeyKYNHHHPOOZPXJG-PLRJNAJWSA-N
MW354.41 g/mol
LogP4.90
Rot. Bonds3

About N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine

N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine (PubChem CID 56968877) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine
PubChem CID56968877
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine
SMILESc1ccc(C2C/C(=N/Nc3nc4ccccc4[nH]3)c3ccccc3O2)cc1
InChIInChI=1S/C22H18N4O/c1-2-8-15(9-3-1)21-14-19(16-10-4-7-13-20(16)27-21)25-26-22-23-17-11-5-6-12-18(17)24-22/h1-13,21H,14H2,(H2,23,24,26)/b25-19-
InChIKeyKYNHHHPOOZPXJG-PLRJNAJWSA-N
XLogP4.90
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 136726342
4-methyl-2-[2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135441871
2-chloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
CID 3538487
4-chloro-N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]aniline
CID 7415283
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine
CID 4171111
N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide
CID 129432071
N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide
CID 4969186
ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate
CID 8972691
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide
CID 3422858
N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine
CID 6087223
2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
CID 3955887
N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine
CID 4196767

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine (CID 56968877) is N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine is c1ccc(C2C/C(=N/Nc3nc4ccccc4[nH]3)c3ccccc3O2)cc1.
What is the InChIKey of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine?
The InChIKey is KYNHHHPOOZPXJG-PLRJNAJWSA-N. The full InChI is InChI=1S/C22H18N4O/c1-2-8-15(9-3-1)21-14-19(16-10-4-7-13-20(16)27-21)25-26-22-23-17-11-5-6-12-18(17)24-22/h1-13,21H,14H2,(H2,23,24,26)/b25-19-.
What are the key properties of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine?
N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine has a molecular weight of 354.41 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 56968877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).