N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine

C19H26ClN3 — CID 45271041

IUPACN-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine
SMILESCc1nc(CNC2CCCC2)n(C(C)C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3/c1-13(2)23-18(12-21-17-6-4-5-7-17)22-14(3)19(23)15-8-10-16(20)11-9-15/h8-11,13,17,21H,4-7,12H2,1-3H3
InChIKeyUDTDXYWIQKFJME-UHFFFAOYSA-N
MW331.89 g/mol
LogP5.13
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine

N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine (PubChem CID 45271041) has the molecular formula C19H26ClN3 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine
PubChem CID45271041
Molecular FormulaC19H26ClN3
Molecular Weight331.89 g/mol
Exact Mass331.18
IUPAC NameN-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine
SMILESCc1nc(CNC2CCCC2)n(C(C)C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3/c1-13(2)23-18(12-21-17-6-4-5-7-17)22-14(3)19(23)15-8-10-16(20)11-9-15/h8-11,13,17,21H,4-7,12H2,1-3H3
InChIKeyUDTDXYWIQKFJME-UHFFFAOYSA-N
XLogP5.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.89
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine (CID 45271041) is N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine is Cc1nc(CNC2CCCC2)n(C(C)C)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is UDTDXYWIQKFJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3/c1-13(2)23-18(12-21-17-6-4-5-7-17)22-14(3)19(23)15-8-10-16(20)11-9-15/h8-11,13,17,21H,4-7,12H2,1-3H3.
What are the key properties of N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 331.89 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-4-methyl-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45271041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).