1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea

C17H21N5OS — CID 119052037

IUPAC1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCc1nc(CNC(=O)NCc2nc3cc(C)ccc3n2C)cs1
InChIInChI=1S/C17H21N5OS/c1-4-16-20-12(10-24-16)8-18-17(23)19-9-15-21-13-7-11(2)5-6-14(13)22(15)3/h5-7,10H,4,8-9H2,1-3H3,(H2,18,19,23)
InChIKeyWORTYACCZKHHPS-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.90
Rot. Bonds5

About 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea

1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 119052037) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID119052037
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCc1nc(CNC(=O)NCc2nc3cc(C)ccc3n2C)cs1
InChIInChI=1S/C17H21N5OS/c1-4-16-20-12(10-24-16)8-18-17(23)19-9-15-21-13-7-11(2)5-6-14(13)22(15)3/h5-7,10H,4,8-9H2,1-3H3,(H2,18,19,23)
InChIKeyWORTYACCZKHHPS-UHFFFAOYSA-N
XLogP2.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea
CID 119052040
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 131926202
N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide
CID 154843835
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide
CID 139006253
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
CID 79474558
methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate
CID 53309497
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea
CID 71875471
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 60783556

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea (CID 119052037) is 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea is CCc1nc(CNC(=O)NCc2nc3cc(C)ccc3n2C)cs1.
What is the InChIKey of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is WORTYACCZKHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-4-16-20-12(10-24-16)8-18-17(23)19-9-15-21-13-7-11(2)5-6-14(13)22(15)3/h5-7,10H,4,8-9H2,1-3H3,(H2,18,19,23).
What are the key properties of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea?
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 343.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 119052037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).