N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine

C13H16ClN3S — CID 65171718

IUPACN-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1Cc1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3S/c1-9-15-6-11(7-16-10-2-3-10)17(9)8-12-4-5-13(14)18-12/h4-6,10,16H,2-3,7-8H2,1H3
InChIKeyYBVGAWRIAWHKBM-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.21
Rot. Bonds5

About N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine

N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine (PubChem CID 65171718) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
PubChem CID65171718
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC NameN-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1Cc1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3S/c1-9-15-6-11(7-16-10-2-3-10)17(9)8-12-4-5-13(14)18-12/h4-6,10,16H,2-3,7-8H2,1H3
InChIKeyYBVGAWRIAWHKBM-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 103050367
N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172224
N-[[3-(3,3-dimethylbutyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171713
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172120
3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65172957
N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine
CID 81248839
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171963
N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171964
N-[[3-(4,4-dimethylpent-2-ynyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 114190461
N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65172275

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine (CID 65171718) is N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine is Cc1ncc(CNC2CC2)n1Cc1ccc(Cl)s1.
What is the InChIKey of N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YBVGAWRIAWHKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-9-15-6-11(7-16-10-2-3-10)17(9)8-12-4-5-13(14)18-12/h4-6,10,16H,2-3,7-8H2,1H3.
What are the key properties of N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 281.81 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65171718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).