1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea

C19H17N5OS — CID 69021098

IUPAC1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc3c(c2)ncn3-c2cscn2)cc1
InChIInChI=1S/C19H17N5OS/c1-13-2-4-14(5-3-13)9-20-19(25)23-15-6-7-17-16(8-15)21-11-24(17)18-10-26-12-22-18/h2-8,10-12H,9H2,1H3,(H2,20,23,25)
InChIKeyFEDJBCUJECOYGQ-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.11
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea

1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea (PubChem CID 69021098) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea
PubChem CID69021098
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc3c(c2)ncn3-c2cscn2)cc1
InChIInChI=1S/C19H17N5OS/c1-13-2-4-14(5-3-13)9-20-19(25)23-15-6-7-17-16(8-15)21-11-24(17)18-10-26-12-22-18/h2-8,10-12H,9H2,1H3,(H2,20,23,25)
InChIKeyFEDJBCUJECOYGQ-UHFFFAOYSA-N
XLogP4.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzimidazole-5-carboxamide
CID 154851573
3-[5-(benzylcarbamoylamino)benzimidazol-1-yl]-3-phenylpropanoic acid
CID 11604030
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea
CID 118776234
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
CID 46288431
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea
CID 118791530
1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885483
3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
CID 118716034
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea (CID 69021098) is 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea is Cc1ccc(CNC(=O)Nc2ccc3c(c2)ncn3-c2cscn2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea?
The InChIKey is FEDJBCUJECOYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-13-2-4-14(5-3-13)9-20-19(25)23-15-6-7-17-16(8-15)21-11-24(17)18-10-26-12-22-18/h2-8,10-12H,9H2,1H3,(H2,20,23,25).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea?
1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea has a molecular weight of 363.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea is sourced from PubChem (CID 69021098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).