N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide

C25H23N5O3 — CID 46633272

IUPACN-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)ccc21
InChIInChI=1S/C25H23N5O3/c1-3-30-16(2)26-21-15-19(11-14-22(21)30)25(33)29-28-24(32)18-9-12-20(13-10-18)27-23(31)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyFBNSKICDJJPPNT-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.69
Rot. Bonds5

About N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide

N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 46633272) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
PubChem CID46633272
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)ccc21
InChIInChI=1S/C25H23N5O3/c1-3-30-16(2)26-21-15-19(11-14-22(21)30)25(33)29-28-24(32)18-9-12-20(13-10-18)27-23(31)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyFBNSKICDJJPPNT-UHFFFAOYSA-N
XLogP3.69
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.69
H-Bond Donors ≤ 53
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'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
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CID 26536246
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 42906196
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2328625
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
1-ethyl-N-[(2-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2641917
1-ethyl-2-methyl-N'-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)benzimidazole-5-carbohydrazide
CID 51109748

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide (CID 46633272) is N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide is CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)ccc21.
What is the InChIKey of N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is FBNSKICDJJPPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-3-30-16(2)26-21-15-19(11-14-22(21)30)25(33)29-28-24(32)18-9-12-20(13-10-18)27-23(31)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,27,31)(H,28,32)(H,29,33).
What are the key properties of N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide?
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 441.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 46633272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).