4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline

C26H21N5O — CID 3007937

IUPAC4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5[nH]4)cc3)o2)cc1
InChIInChI=1S/C26H21N5O/c27-20-8-5-17(6-9-20)24-12-11-23(32-24)16-1-3-18(4-2-16)26-30-21-10-7-19(15-22(21)31-26)25-28-13-14-29-25/h1-12,15H,13-14,27H2,(H,28,29)(H,30,31)
InChIKeyFPZPLIHUAYTLEW-UHFFFAOYSA-N
MW419.49 g/mol
LogP5.09
Rot. Bonds4

About 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline

4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline (PubChem CID 3007937) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline.

Molecular Properties

Compound Name4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline
PubChem CID3007937
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Name4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5[nH]4)cc3)o2)cc1
InChIInChI=1S/C26H21N5O/c27-20-8-5-17(6-9-20)24-12-11-23(32-24)16-1-3-18(4-2-16)26-30-21-10-7-19(15-22(21)31-26)25-28-13-14-29-25/h1-12,15H,13-14,27H2,(H,28,29)(H,30,31)
InChIKeyFPZPLIHUAYTLEW-UHFFFAOYSA-N
XLogP5.09
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.09
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

2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
CID 459929
4-{5-[2-(1H-benzimidazol-2-yl)-2-cyanovinyl]-2-furyl}benzoic acid
CID 5721447
(2Z)-2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 138857416
2-[2-[[4-[(Z)-(7-carbamoyl-3-oxo-1-benzofuran-2-ylidene)methyl]benzoyl]amino]ethyl]-1H-benzimidazole-4-carboxamide
CID 155545779
3-{[4-(1H-1,3-Benzodiazol-2-YL)phenyl]amino}-2-[(furan-2-YL)methyl]-2,3-dihydro-1H-isoindol-1-one
CID 5307482
N-[5-(1H-1,3-Benzodiazol-2-YL)-2-methylphenyl]-3-propoxybenzamide
CID 15991043
4-(5-(Benzo[d]oxazol-2-yl)-1H-benzo[d]imidazol-2-yl)aniline
CID 687466
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2-furyl)acrylamide
CID 876026
Fgi-103
CID 5477931
2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 9902666

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline?
The IUPAC name of 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline (CID 3007937) is 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline.
What is the SMILES notation for 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline?
The canonical SMILES for 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline is Nc1ccc(-c2ccc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5[nH]4)cc3)o2)cc1.
What is the InChIKey of 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline?
The InChIKey is FPZPLIHUAYTLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c27-20-8-5-17(6-9-20)24-12-11-23(32-24)16-1-3-18(4-2-16)26-30-21-10-7-19(15-22(21)31-26)25-28-13-14-29-25/h1-12,15H,13-14,27H2,(H,28,29)(H,30,31).
What are the key properties of 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline?
4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline has a molecular weight of 419.49 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline is sourced from PubChem (CID 3007937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).