1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide

C29H26N4O5 — CID 2443889

IUPAC1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(COc4ccc5c(C)cc(=O)oc5c4)cc3)ccc21
InChIInChI=1S/C29H26N4O5/c1-4-33-18(3)30-24-14-21(9-12-25(24)33)29(36)32-31-28(35)20-7-5-19(6-8-20)16-37-22-10-11-23-17(2)13-27(34)38-26(23)15-22/h5-15H,4,16H2,1-3H3,(H,31,35)(H,32,36)
InChIKeyIHJLJERZVOICPE-UHFFFAOYSA-N
MW510.55 g/mol
LogP4.43
Rot. Bonds6

About 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide

1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide (PubChem CID 2443889) has the molecular formula C29H26N4O5 and a molecular weight of 510.55 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide
PubChem CID2443889
Molecular FormulaC29H26N4O5
Molecular Weight510.55 g/mol
Exact Mass510.19
IUPAC Name1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(COc4ccc5c(C)cc(=O)oc5c4)cc3)ccc21
InChIInChI=1S/C29H26N4O5/c1-4-33-18(3)30-24-14-21(9-12-25(24)33)29(36)32-31-28(35)20-7-5-19(6-8-20)16-37-22-10-11-23-17(2)13-27(34)38-26(23)15-22/h5-15H,4,16H2,1-3H3,(H,31,35)(H,32,36)
InChIKeyIHJLJERZVOICPE-UHFFFAOYSA-N
XLogP4.43
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide with MolForge

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Related Compounds

1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
CID 26682519
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CID 25349265
4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide
CID 2102682
N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
CID 2568378
N-(2,3-dimethylphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 7946928
N-(3,4-diethoxyphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 16551304
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
7-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methoxy]-4-methylchromen-2-one
CID 2530045
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
CID 43003010
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide
CID 24538873

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide (CID 2443889) is 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(COc4ccc5c(C)cc(=O)oc5c4)cc3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide?
The InChIKey is IHJLJERZVOICPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O5/c1-4-33-18(3)30-24-14-21(9-12-25(24)33)29(36)32-31-28(35)20-7-5-19(6-8-20)16-37-22-10-11-23-17(2)13-27(34)38-26(23)15-22/h5-15H,4,16H2,1-3H3,(H,31,35)(H,32,36).
What are the key properties of 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide?
1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide has a molecular weight of 510.55 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide is sourced from PubChem (CID 2443889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).