N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide

C24H17BrN4O3 — CID 5033645

IUPACN-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide
SMILESCOc1ccc2oc(=NNC(=O)c3ccc(Br)cc3)c(-c3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C24H17BrN4O3/c1-31-17-10-11-21-15(12-17)13-18(22-26-19-4-2-3-5-20(19)27-22)24(32-21)29-28-23(30)14-6-8-16(25)9-7-14/h2-13H,1H3,(H,26,27)(H,28,30)
InChIKeyACGXYLUTXSOUKL-UHFFFAOYSA-N
MW489.33 g/mol
LogP4.99
Rot. Bonds4

About N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide

N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide (PubChem CID 5033645) has the molecular formula C24H17BrN4O3 and a molecular weight of 489.33 g/mol. Its IUPAC name is N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide.

Molecular Properties

Compound NameN-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide
PubChem CID5033645
Molecular FormulaC24H17BrN4O3
Molecular Weight489.33 g/mol
Exact Mass488.05
IUPAC NameN-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide
SMILESCOc1ccc2oc(=NNC(=O)c3ccc(Br)cc3)c(-c3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C24H17BrN4O3/c1-31-17-10-11-21-15(12-17)13-18(22-26-19-4-2-3-5-20(19)27-22)24(32-21)29-28-23(30)14-6-8-16(25)9-7-14/h2-13H,1H3,(H,26,27)(H,28,30)
InChIKeyACGXYLUTXSOUKL-UHFFFAOYSA-N
XLogP4.99
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.33
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide
CID 4587142
N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
CID 98117948
3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine
CID 5128973
N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide
CID 3945255
N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide
CID 135466780
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3576903
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 136781359
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide?
The IUPAC name of N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide (CID 5033645) is N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide.
What is the SMILES notation for N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide?
The canonical SMILES for N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide is COc1ccc2oc(=NNC(=O)c3ccc(Br)cc3)c(-c3nc4ccccc4[nH]3)cc2c1.
What is the InChIKey of N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide?
The InChIKey is ACGXYLUTXSOUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN4O3/c1-31-17-10-11-21-15(12-17)13-18(22-26-19-4-2-3-5-20(19)27-22)24(32-21)29-28-23(30)14-6-8-16(25)9-7-14/h2-13H,1H3,(H,26,27)(H,28,30).
What are the key properties of N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide?
N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide has a molecular weight of 489.33 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide is sourced from PubChem (CID 5033645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).