[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone

C11H13N3OS — CID 107501641

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H13N3OS/c1-8-2-5-16-11(8)10(15)9-6-14(4-3-12)7-13-9/h2,5-7H,3-4,12H2,1H3
InChIKeyPGPNLMQHUDSJFL-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.44
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 107501641) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID107501641
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H13N3OS/c1-8-2-5-16-11(8)10(15)9-6-14(4-3-12)7-13-9/h2,5-7H,3-4,12H2,1H3
InChIKeyPGPNLMQHUDSJFL-UHFFFAOYSA-N
XLogP1.44
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone
CID 107501399
[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 107501449
[1-(2-aminoethyl)imidazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 107501248
[1-(2-aminoethyl)imidazol-4-yl]-(2-ethylpyrazol-3-yl)methanone
CID 107501467
1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide
CID 107498391
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 107501668
1-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 107497882
(3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
CID 130509688
1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide
CID 107497756
1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
CID 107495717
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone (CID 107501641) is [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1cn(CCN)cn1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is PGPNLMQHUDSJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-2-5-16-11(8)10(15)9-6-14(4-3-12)7-13-9/h2,5-7H,3-4,12H2,1H3.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 235.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 107501641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).