[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea

C15H14N4S — CID 169357931

IUPAC[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea
SMILESCc1ccc(-c2nc3ccc(NC(N)=S)cc3[nH]2)cc1
InChIInChI=1S/C15H14N4S/c1-9-2-4-10(5-3-9)14-18-12-7-6-11(17-15(16)20)8-13(12)19-14/h2-8H,1H3,(H,18,19)(H3,16,17,20)
InChIKeyIEKDWIKVKWOTOA-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.19
Rot. Bonds2

About [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea

[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea (PubChem CID 169357931) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea.

Molecular Properties

Compound Name[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea
PubChem CID169357931
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea
SMILESCc1ccc(-c2nc3ccc(NC(N)=S)cc3[nH]2)cc1
InChIInChI=1S/C15H14N4S/c1-9-2-4-10(5-3-9)14-18-12-7-6-11(17-15(16)20)8-13(12)19-14/h2-8H,1H3,(H,18,19)(H3,16,17,20)
InChIKeyIEKDWIKVKWOTOA-UHFFFAOYSA-N
XLogP3.19
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea
CID 2488329
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
(6-methyl-1H-benzimidazol-2-yl)thiourea
CID 6917301
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
CID 56673048
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea?
The IUPAC name of [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea (CID 169357931) is [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea.
What is the SMILES notation for [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea?
The canonical SMILES for [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea is Cc1ccc(-c2nc3ccc(NC(N)=S)cc3[nH]2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea?
The InChIKey is IEKDWIKVKWOTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-9-2-4-10(5-3-9)14-18-12-7-6-11(17-15(16)20)8-13(12)19-14/h2-8H,1H3,(H,18,19)(H3,16,17,20).
What are the key properties of [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea?
[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea has a molecular weight of 282.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea is sourced from PubChem (CID 169357931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).