1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea

C18H29N5OS — CID 122558337

IUPAC1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
SMILESCc1ccsc1CN(CCN(C)C)C(=O)NCc1nccn1C(C)C
InChIInChI=1S/C18H29N5OS/c1-14(2)23-8-7-19-17(23)12-20-18(24)22(10-9-21(4)5)13-16-15(3)6-11-25-16/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,20,24)
InChIKeyUSQJOTQXVFAWSX-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.11
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea

1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea (PubChem CID 122558337) has the molecular formula C18H29N5OS and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
PubChem CID122558337
Molecular FormulaC18H29N5OS
Molecular Weight363.53 g/mol
Exact Mass363.21
IUPAC Name1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
SMILESCc1ccsc1CN(CCN(C)C)C(=O)NCc1nccn1C(C)C
InChIInChI=1S/C18H29N5OS/c1-14(2)23-8-7-19-17(23)12-20-18(24)22(10-9-21(4)5)13-16-15(3)6-11-25-16/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,20,24)
InChIKeyUSQJOTQXVFAWSX-UHFFFAOYSA-N
XLogP3.11
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea with MolForge

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 75382647
6,7-Dihydrothieno[3,2-C]pyridin-5(4h)-Yl(1h-Imidazol-1-Yl)methanone
CID 40126930
N-(3-imidazol-1-ylpropyl)-5-methylthiophene-3-carboxamide
CID 2971216
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 71916239
8-thiophen-3-yl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 162647165
N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide
CID 35523911
1-[1-(4-Imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 42928191
N-(3-imidazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 45829758
N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45829762
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45830128
N-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45830130
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 46984947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea (CID 122558337) is 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea is Cc1ccsc1CN(CCN(C)C)C(=O)NCc1nccn1C(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
The InChIKey is USQJOTQXVFAWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5OS/c1-14(2)23-8-7-19-17(23)12-20-18(24)22(10-9-21(4)5)13-16-15(3)6-11-25-16/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,20,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea has a molecular weight of 363.53 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 122558337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).