N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine

C15H18ClN3 — CID 60866945

IUPACN-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
SMILESCc1[nH]c(CNCC2CC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-10-15(12-4-6-13(16)7-5-12)19-14(18-10)9-17-8-11-2-3-11/h4-7,11,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyXWNWROOZFSYDDK-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.54
Rot. Bonds5

About N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine

N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine (PubChem CID 60866945) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
PubChem CID60866945
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
SMILESCc1[nH]c(CNCC2CC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-10-15(12-4-6-13(16)7-5-12)19-14(18-10)9-17-8-11-2-3-11/h4-7,11,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyXWNWROOZFSYDDK-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
CID 60866946
2-bromo-4-(4-chlorophenyl)-5-methyl-1H-imidazole
CID 83664346
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 60787932
4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 63926384
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole
CID 171548879
4-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105456043
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
CID 60861436
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine
CID 54925180
1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]-2,3-dimethylguanidine
CID 21334585

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine (CID 60866945) is N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine is Cc1[nH]c(CNCC2CC2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine?
The InChIKey is XWNWROOZFSYDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10-15(12-4-6-13(16)7-5-12)19-14(18-10)9-17-8-11-2-3-11/h4-7,11,17H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine?
N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 60866945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).