(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

C20H23ClN4 — CID 120770504

IUPAC(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22N4.ClH/c21-19-14-24(13-18(19)15-7-3-1-4-8-15)12-17-11-22-20(23-17)16-9-5-2-6-10-16;/h1-11,18-19H,12-14,21H2,(H,22,23);1H/t18-,19+;/m0./s1
InChIKeyMOQPKPJBBSOZAX-GRTNUQQKSA-N
MW354.89 g/mol
LogP3.43
Rot. Bonds4

About (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120770504) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120770504
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22N4.ClH/c21-19-14-24(13-18(19)15-7-3-1-4-8-15)12-17-11-22-20(23-17)16-9-5-2-6-10-16;/h1-11,18-19H,12-14,21H2,(H,22,23);1H/t18-,19+;/m0./s1
InChIKeyMOQPKPJBBSOZAX-GRTNUQQKSA-N
XLogP3.43
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770297
(3S,4R)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770237
(3S,4R)-4-phenyl-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120761550
(3S,4R)-1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846799
(3S,4R)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120761506
5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120770165
(3S,4R)-1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120760956
(3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120846762
(3S,4R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770420
(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769839
2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile
CID 118128434
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120770504) is (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is MOQPKPJBBSOZAX-GRTNUQQKSA-N. The full InChI is InChI=1S/C20H22N4.ClH/c21-19-14-24(13-18(19)15-7-3-1-4-8-15)12-17-11-22-20(23-17)16-9-5-2-6-10-16;/h1-11,18-19H,12-14,21H2,(H,22,23);1H/t18-,19+;/m0./s1.
What are the key properties of (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 354.89 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120770504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).