1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C10H11BrClN3S — CID 102835699

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H11BrClN3S/c1-15-3-2-14-9(15)6-13-5-7-4-8(11)10(12)16-7/h2-4,13H,5-6H2,1H3
InChIKeyBDBGOBSTKYJTRR-UHFFFAOYSA-N
MW320.64 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 102835699) has the molecular formula C10H11BrClN3S and a molecular weight of 320.64 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID102835699
Molecular FormulaC10H11BrClN3S
Molecular Weight320.64 g/mol
Exact Mass318.95
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H11BrClN3S/c1-15-3-2-14-9(15)6-13-5-7-4-8(11)10(12)16-7/h2-4,13H,5-6H2,1H3
InChIKeyBDBGOBSTKYJTRR-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 102835699) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CNCc1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is BDBGOBSTKYJTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3S/c1-15-3-2-14-9(15)6-13-5-7-4-8(11)10(12)16-7/h2-4,13H,5-6H2,1H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 320.64 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 102835699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).