(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

C19H29N5 — CID 95230096

IUPAC(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCc1nccn1-c1ccccc1CN[C@@H](C)CN1CCN(C)CC1
InChIInChI=1S/C19H29N5/c1-16(15-23-12-10-22(3)11-13-23)21-14-18-6-4-5-7-19(18)24-9-8-20-17(24)2/h4-9,16,21H,10-15H2,1-3H3/t16-/m0/s1
InChIKeyLXEWFNZBOURQBW-INIZCTEOSA-N
MW327.48 g/mol
LogP1.91
Rot. Bonds6

About (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 95230096) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID95230096
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCc1nccn1-c1ccccc1CN[C@@H](C)CN1CCN(C)CC1
InChIInChI=1S/C19H29N5/c1-16(15-23-12-10-22(3)11-13-23)21-14-18-6-4-5-7-19(18)24-9-8-20-17(24)2/h4-9,16,21H,10-15H2,1-3H3/t16-/m0/s1
InChIKeyLXEWFNZBOURQBW-INIZCTEOSA-N
XLogP1.91
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95230097
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
CID 130198321
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
CID 167988142
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43435063
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 95133196
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 46764245
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine
CID 162627078
(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
CID 157015631

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 95230096) is (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is Cc1nccn1-c1ccccc1CN[C@@H](C)CN1CCN(C)CC1.
What is the InChIKey of (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is LXEWFNZBOURQBW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N5/c1-16(15-23-12-10-22(3)11-13-23)21-14-18-6-4-5-7-19(18)24-9-8-20-17(24)2/h4-9,16,21H,10-15H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 327.48 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 95230096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).