N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine

C15H20ClN3 — CID 10446240

IUPACN-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine
SMILESClc1ccc(CNCCCCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)
InChIKeyBJZMQYYHQDWJRH-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.57
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine

N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine (PubChem CID 10446240) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine
PubChem CID10446240
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine
SMILESClc1ccc(CNCCCCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)
InChIKeyBJZMQYYHQDWJRH-UHFFFAOYSA-N
XLogP3.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 2790
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CID 71263
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CID 69590
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Lofemizole
CID 71967
N-(3,5-dichlorophenyl)-N'-((4-(1H-imidazol-4-ylmethyl)phenyl)methyl)urea
CID 9801743
Immethridine
CID 9989505
4-benzyl-1H-imidazole
CID 594090
4-(4-fluorophenyl)-1H-imidazole
CID 657876
1-(4-chlorobenzyl)-1H-imidazole
CID 2779191
4-(2-(4-tert-Butylphenylamino)ethyl)-1H-imidazole
CID 46222045
2,4-Diphenylimidazole
CID 296732

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine (CID 10446240) is N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine is Clc1ccc(CNCCCCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine?
The InChIKey is BJZMQYYHQDWJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine?
N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine is sourced from PubChem (CID 10446240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).