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

C15H14ClN3S — CID 44578921

IUPACN-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine
SMILESClc1ccc(CN(Cc2ccccc2)n2ccnc2)s1
InChIInChI=1S/C15H14ClN3S/c16-15-7-6-14(20-15)11-19(18-9-8-17-12-18)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyVPJAJIXZNIFDRU-UHFFFAOYSA-N
MW303.82 g/mol
LogP3.94
Rot. Bonds5

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

N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine (PubChem CID 44578921) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine
PubChem CID44578921
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine
SMILESClc1ccc(CN(Cc2ccccc2)n2ccnc2)s1
InChIInChI=1S/C15H14ClN3S/c16-15-7-6-14(20-15)11-19(18-9-8-17-12-18)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyVPJAJIXZNIFDRU-UHFFFAOYSA-N
XLogP3.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine?
The IUPAC name of N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine (CID 44578921) is N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine.
What is the SMILES notation for N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine?
The canonical SMILES for N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine is Clc1ccc(CN(Cc2ccccc2)n2ccnc2)s1.
What is the InChIKey of N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine?
The InChIKey is VPJAJIXZNIFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c16-15-7-6-14(20-15)11-19(18-9-8-17-12-18)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2.
What are the key properties of N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine?
N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine has a molecular weight of 303.82 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-chlorothiophen-2-yl)methyl]imidazol-1-amine is sourced from PubChem (CID 44578921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).