2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

C14H18ClN3 — CID 119126099

IUPAC2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCc1ncc[nH]1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-14(2,11-5-3-4-6-12(11)15)10-16-9-13-17-7-8-18-13/h3-8,16H,9-10H2,1-2H3,(H,17,18)
InChIKeyGCMKXMNTSJZXFL-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 119126099) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID119126099
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCc1ncc[nH]1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-14(2,11-5-3-4-6-12(11)15)10-16-9-13-17-7-8-18-13/h3-8,16H,9-10H2,1-2H3,(H,17,18)
InChIKeyGCMKXMNTSJZXFL-UHFFFAOYSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (CID 119126099) is 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is CC(C)(CNCc1ncc[nH]1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is GCMKXMNTSJZXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-14(2,11-5-3-4-6-12(11)15)10-16-9-13-17-7-8-18-13/h3-8,16H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 119126099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).