1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane

C19H24N4O2S — CID 145497541

IUPAC1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane
SMILESCC.COc1cccc(CNC(=S)Nc2ccc3nc[nH]c3c2)c1OC
InChIInChI=1S/C17H18N4O2S.C2H6/c1-22-15-5-3-4-11(16(15)23-2)9-18-17(24)21-12-6-7-13-14(8-12)20-10-19-13;1-2/h3-8,10H,9H2,1-2H3,(H,19,20)(H2,18,21,24);1-2H3
InChIKeyNCDMGVVPIHSICT-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.09
Rot. Bonds5

About 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane

1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane (PubChem CID 145497541) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane
PubChem CID145497541
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane
SMILESCC.COc1cccc(CNC(=S)Nc2ccc3nc[nH]c3c2)c1OC
InChIInChI=1S/C17H18N4O2S.C2H6/c1-22-15-5-3-4-11(16(15)23-2)9-18-17(24)21-12-6-7-13-14(8-12)20-10-19-13;1-2/h3-8,10H,9H2,1-2H3,(H,19,20)(H2,18,21,24);1-2H3
InChIKeyNCDMGVVPIHSICT-UHFFFAOYSA-N
XLogP4.09
TPSA71.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-benzimidazol-5-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 25062914
1-(3H-benzimidazol-5-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 25056225
1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea
CID 3672215
1-(3-fluorophenyl)-3-[(2,3,4-trimethoxyphenyl)methyl]thiourea
CID 100666572
1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
methyl 3-[(2-methoxyphenyl)methylcarbamothioylamino]benzoate
CID 100591236
1-(3H-benzimidazol-5-yl)-3-[(2-bromophenyl)methyl]urea
CID 108886053
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 3836543
1-(4-bromophenyl)-3-[(2,3,4-trimethoxyphenyl)methyl]thiourea
CID 100666392
1-(3-methoxy-2-pyridinyl)-3-[(2,3,4-trimethoxyphenyl)methyl]thiourea
CID 100667189
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 100591089
N-(3H-benzimidazol-5-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438956

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane (CID 145497541) is 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane is CC.COc1cccc(CNC(=S)Nc2ccc3nc[nH]c3c2)c1OC.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane?
The InChIKey is NCDMGVVPIHSICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S.C2H6/c1-22-15-5-3-4-11(16(15)23-2)9-18-17(24)21-12-6-7-13-14(8-12)20-10-19-13;1-2/h3-8,10H,9H2,1-2H3,(H,19,20)(H2,18,21,24);1-2H3.
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane?
1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane has a molecular weight of 372.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane is sourced from PubChem (CID 145497541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).