N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine

C15H20N4 — CID 63001032

IUPACN-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine
SMILESc1ncc(CNCc2ccc(N3CCCC3)cc2)[nH]1
InChIInChI=1S/C15H20N4/c1-2-8-19(7-1)15-5-3-13(4-6-15)9-16-10-14-11-17-12-18-14/h3-6,11-12,16H,1-2,7-10H2,(H,17,18)
InChIKeyPKBADXIEIZBUJE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.30
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine

N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine (PubChem CID 63001032) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine
PubChem CID63001032
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine
SMILESc1ncc(CNCc2ccc(N3CCCC3)cc2)[nH]1
InChIInChI=1S/C15H20N4/c1-2-8-19(7-1)15-5-3-13(4-6-15)9-16-10-14-11-17-12-18-14/h3-6,11-12,16H,1-2,7-10H2,(H,17,18)
InChIKeyPKBADXIEIZBUJE-UHFFFAOYSA-N
XLogP2.30
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 79984096
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 86808713
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 62761735
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide
CID 62999360
N-(1H-imidazol-5-ylmethyl)-1-(4-nitrophenyl)methanamine
CID 55109637
1-(3-chloro-4-methylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 106816903
N-(1H-imidazol-5-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 66407683
1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride
CID 115607264
2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 63001311
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43755063
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine (CID 63001032) is N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine is c1ncc(CNCc2ccc(N3CCCC3)cc2)[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine?
The InChIKey is PKBADXIEIZBUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-8-19(7-1)15-5-3-13(4-6-15)9-16-10-14-11-17-12-18-14/h3-6,11-12,16H,1-2,7-10H2,(H,17,18).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine?
N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine is sourced from PubChem (CID 63001032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).