1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea

C18H19FN4OS — CID 86665456

IUPAC1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea
SMILESCCn1c(C)nc2cccc(NC(=S)Nc3cc(F)ccc3OC)c21
InChIInChI=1S/C18H19FN4OS/c1-4-23-11(2)20-13-6-5-7-14(17(13)23)21-18(25)22-15-10-12(19)8-9-16(15)24-3/h5-10H,4H2,1-3H3,(H2,21,22,25)
InChIKeyNVGLABOGPRJBRK-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.32
Rot. Bonds4

About 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea

1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea (PubChem CID 86665456) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea
PubChem CID86665456
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea
SMILESCCn1c(C)nc2cccc(NC(=S)Nc3cc(F)ccc3OC)c21
InChIInChI=1S/C18H19FN4OS/c1-4-23-11(2)20-13-6-5-7-14(17(13)23)21-18(25)22-15-10-12(19)8-9-16(15)24-3/h5-10H,4H2,1-3H3,(H2,21,22,25)
InChIKeyNVGLABOGPRJBRK-UHFFFAOYSA-N
XLogP4.32
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2328625
1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[3-(2,2,2-trifluoroethyl)benzimidazol-4-yl]thiourea
CID 86665473
7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
CID 163275937
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903
1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924090
1-(3-chloro-2-fluorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 53488642
1-(3,4-dimethoxyphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 19687302
1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
CID 3001925
1-(2-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 53489315
N-(2,3-dimethylbenzimidazol-4-yl)-2-(4-methoxy-3-pyridinyl)ethanethioamide
CID 147046325
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46289010

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea?
The IUPAC name of 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea (CID 86665456) is 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea?
The canonical SMILES for 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea is CCn1c(C)nc2cccc(NC(=S)Nc3cc(F)ccc3OC)c21.
What is the InChIKey of 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea?
The InChIKey is NVGLABOGPRJBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-4-23-11(2)20-13-6-5-7-14(17(13)23)21-18(25)22-15-10-12(19)8-9-16(15)24-3/h5-10H,4H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea?
1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea has a molecular weight of 358.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylbenzimidazol-4-yl)-3-(5-fluoro-2-methoxyphenyl)thiourea is sourced from PubChem (CID 86665456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).