1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea

C14H20N4OS — CID 71915368

IUPAC1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CNC(=O)N(C)CCCn1ccnc1
InChIInChI=1S/C14H20N4OS/c1-12-4-9-20-13(12)10-16-14(19)17(2)6-3-7-18-8-5-15-11-18/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,16,19)
InChIKeyHSDVWKWEMPNTNG-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.48
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea

1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 71915368) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID71915368
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CNC(=O)N(C)CCCn1ccnc1
InChIInChI=1S/C14H20N4OS/c1-12-4-9-20-13(12)10-16-14(19)17(2)6-3-7-18-8-5-15-11-18/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,16,19)
InChIKeyHSDVWKWEMPNTNG-UHFFFAOYSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(imidazol-1-ylmethyl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 86933282
3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 46986157
tert-butyl N-[[3-[[[3-imidazol-1-ylpropyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]-N-methylcarbamate
CID 146146025
3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 125439891
1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea
CID 126433948
2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide
CID 167920030
2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid
CID 43135799
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
trans-(1S,2S)-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 97071504
3-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(3-imidazol-1-ylpropyl)-1-methylurea
CID 97235600
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea
CID 55766950
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
CID 71176034

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea (CID 71915368) is 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea is Cc1ccsc1CNC(=O)N(C)CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is HSDVWKWEMPNTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-12-4-9-20-13(12)10-16-14(19)17(2)6-3-7-18-8-5-15-11-18/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,16,19).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea?
1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 292.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 71915368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).