N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

C19H19BrN4O3 — CID 17488948

IUPACN'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(OC)ccc3Br)ccc21
InChIInChI=1S/C19H19BrN4O3/c1-4-24-11(2)21-16-9-12(5-8-17(16)24)18(25)22-23-19(26)14-10-13(27-3)6-7-15(14)20/h5-10H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZGSDFJUWECIQON-UHFFFAOYSA-N
MW431.29 g/mol
LogP3.21
Rot. Bonds4

About N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide (PubChem CID 17488948) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
PubChem CID17488948
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC NameN'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(OC)ccc3Br)ccc21
InChIInChI=1S/C19H19BrN4O3/c1-4-24-11(2)21-16-9-12(5-8-17(16)24)18(25)22-23-19(26)14-10-13(27-3)6-7-15(14)20/h5-10H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZGSDFJUWECIQON-UHFFFAOYSA-N
XLogP3.21
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.21
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

1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
1-ethyl-N-[(4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2323425
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24621720
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
CID 4783019
1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2328625
N-[(2-bromophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 5235917
1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
CID 26682519

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The IUPAC name of N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide (CID 17488948) is N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The canonical SMILES for N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(OC)ccc3Br)ccc21.
What is the InChIKey of N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The InChIKey is ZGSDFJUWECIQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-4-24-11(2)21-16-9-12(5-8-17(16)24)18(25)22-23-19(26)14-10-13(27-3)6-7-15(14)20/h5-10H,4H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide has a molecular weight of 431.29 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 17488948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).