[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C16H23ClN4 — CID 120781259

IUPAC[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-16(11-17)7-8-20(12-16)10-14-9-18-15(19-14)13-5-3-2-4-6-13;/h2-6,9H,7-8,10-12,17H2,1H3,(H,18,19);1H
InChIKeySIGHPRODNHVKPX-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.67
Rot. Bonds4

About [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120781259) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120781259
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-16(11-17)7-8-20(12-16)10-14-9-18-15(19-14)13-5-3-2-4-6-13;/h2-6,9H,7-8,10-12,17H2,1H3,(H,18,19);1H
InChIKeySIGHPRODNHVKPX-UHFFFAOYSA-N
XLogP2.67
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781260
[3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967303
[3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120771610
[1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773894
(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770504
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
[3-methyl-1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780708
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120781259) is [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1.Cl.
What is the InChIKey of [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is SIGHPRODNHVKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.ClH/c1-16(11-17)7-8-20(12-16)10-14-9-18-15(19-14)13-5-3-2-4-6-13;/h2-6,9H,7-8,10-12,17H2,1H3,(H,18,19);1H.
What are the key properties of [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120781259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).