(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine

C16H21Cl2N3 — CID 81362461

IUPAC(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESCCCCc1nc(Cl)c(CN[C@H](C)c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C16H21Cl2N3/c1-3-4-8-15-20-14(16(18)21-15)10-19-11(2)12-6-5-7-13(17)9-12/h5-7,9,11,19H,3-4,8,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyQNDRRDBPNAGMRI-LLVKDONJSA-N
MW326.27 g/mol
LogP4.91
Rot. Bonds7

About (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine

(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 81362461) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine
PubChem CID81362461
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESCCCCc1nc(Cl)c(CN[C@H](C)c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C16H21Cl2N3/c1-3-4-8-15-20-14(16(18)21-15)10-19-11(2)12-6-5-7-13(17)9-12/h5-7,9,11,19H,3-4,8,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyQNDRRDBPNAGMRI-LLVKDONJSA-N
XLogP4.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369248
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350387
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pent-1-yn-3-amine
CID 106224939
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809077
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
N-[1-(3-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115899474
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine (CID 81362461) is (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine is CCCCc1nc(Cl)c(CN[C@H](C)c2cccc(Cl)c2)[nH]1.
What is the InChIKey of (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is QNDRRDBPNAGMRI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-3-4-8-15-20-14(16(18)21-15)10-19-11(2)12-6-5-7-13(17)9-12/h5-7,9,11,19H,3-4,8,10H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine?
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine has a molecular weight of 326.27 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 81362461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).