N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide

C19H19N5O2S — CID 2324824

IUPACN-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=S)NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H19N5O2S/c1-3-24-12(2)20-15-11-14(9-10-16(15)24)18(26)22-23-19(27)21-17(25)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,22,26)(H2,21,23,25,27)
InChIKeyFVOYXAPBGSTMDV-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.31
Rot. Bonds3

About N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide

N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide (PubChem CID 2324824) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide
PubChem CID2324824
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=S)NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H19N5O2S/c1-3-24-12(2)20-15-11-14(9-10-16(15)24)18(26)22-23-19(27)21-17(25)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,22,26)(H2,21,23,25,27)
InChIKeyFVOYXAPBGSTMDV-UHFFFAOYSA-N
XLogP2.31
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide?
The IUPAC name of N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide (CID 2324824) is N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide.
What is the SMILES notation for N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide?
The canonical SMILES for N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide is CCn1c(C)nc2cc(C(=O)NNC(=S)NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide?
The InChIKey is FVOYXAPBGSTMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-3-24-12(2)20-15-11-14(9-10-16(15)24)18(26)22-23-19(27)21-17(25)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,22,26)(H2,21,23,25,27).
What are the key properties of N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide?
N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide is sourced from PubChem (CID 2324824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).