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

C20H23ClN4 — CID 120846762

IUPAC(3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2nccn2-c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22N4.ClH/c21-19-14-23(13-18(19)16-7-3-1-4-8-16)15-20-22-11-12-24(20)17-9-5-2-6-10-17;/h1-12,18-19H,13-15,21H2;1H/t18-,19+;/m0./s1
InChIKeyQQEOPCZNQIRRGJ-GRTNUQQKSA-N
MW354.89 g/mol
LogP3.22
Rot. Bonds4

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

(3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120846762) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120846762
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name(3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2nccn2-c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22N4.ClH/c21-19-14-23(13-18(19)16-7-3-1-4-8-16)15-20-22-11-12-24(20)17-9-5-2-6-10-17;/h1-12,18-19H,13-15,21H2;1H/t18-,19+;/m0./s1
InChIKeyQQEOPCZNQIRRGJ-GRTNUQQKSA-N
XLogP3.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-phenyl-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120761550
(3S,4R)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120761506
1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
CID 141118579
(1-phenylimidazol-2-yl)methanamine;hydrochloride
CID 162422854
(3S,4R)-1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770494
(3S,4R)-4-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120770063
(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770504
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770297
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
(3S,4R)-1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761384
(3S,4R)-4-phenyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770213

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120846762) is (3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CN(Cc2nccn2-c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is QQEOPCZNQIRRGJ-GRTNUQQKSA-N. The full InChI is InChI=1S/C20H22N4.ClH/c21-19-14-23(13-18(19)16-7-3-1-4-8-16)15-20-22-11-12-24(20)17-9-5-2-6-10-17;/h1-12,18-19H,13-15,21H2;1H/t18-,19+;/m0./s1.
What are the key properties of (3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
(3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 354.89 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[(1-phenylimidazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120846762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).