N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine

C12H16ClN3OS — CID 66403049

IUPACN-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nccn1Cc1ccc(Cl)s1
InChIInChI=1S/C12H16ClN3OS/c1-17-7-5-14-8-12-15-4-6-16(12)9-10-2-3-11(13)18-10/h2-4,6,14H,5,7-9H2,1H3
InChIKeyUUIDDXBTQKNEQH-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.38
Rot. Bonds7

About N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine

N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 66403049) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID66403049
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC NameN-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nccn1Cc1ccc(Cl)s1
InChIInChI=1S/C12H16ClN3OS/c1-17-7-5-14-8-12-15-4-6-16(12)9-10-2-3-11(13)18-10/h2-4,6,14H,5,7-9H2,1H3
InChIKeyUUIDDXBTQKNEQH-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62222165
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66400904
2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine
CID 66402475
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401302
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine (CID 66403049) is N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nccn1Cc1ccc(Cl)s1.
What is the InChIKey of N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is UUIDDXBTQKNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-17-7-5-14-8-12-15-4-6-16(12)9-10-2-3-11(13)18-10/h2-4,6,14H,5,7-9H2,1H3.
What are the key properties of N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine?
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 285.80 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66403049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).