N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine

C17H15Cl2N3 — CID 91126239

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
SMILESClc1ccc(CNC(c2ccccc2)c2ncc[nH]2)cc1Cl
InChIInChI=1S/C17H15Cl2N3/c18-14-7-6-12(10-15(14)19)11-22-16(17-20-8-9-21-17)13-4-2-1-3-5-13/h1-10,16,22H,11H2,(H,20,21)
InChIKeyNBPOOJVLVAXRTN-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.60
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine

N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine (PubChem CID 91126239) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
PubChem CID91126239
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
SMILESClc1ccc(CNC(c2ccccc2)c2ncc[nH]2)cc1Cl
InChIInChI=1S/C17H15Cl2N3/c18-14-7-6-12(10-15(14)19)11-22-16(17-20-8-9-21-17)13-4-2-1-3-5-13/h1-10,16,22H,11H2,(H,20,21)
InChIKeyNBPOOJVLVAXRTN-UHFFFAOYSA-N
XLogP4.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Chlorophenyl)-phenyl-methyl]imidazole
CID 21564113
2-(4-chlorophenyl)-1H-imidazole
CID 242948
1-(3,4-dichlorobenzyl)-1H-imidazole
CID 2985081
N-(3,4-dichlorobenzyl)-N-[3-(1H-imidazol-1-yl)propyl]amine
CID 5138252
N-(4-Chloro-benzyl)-2-[4-(1H-imidazol-4-ylmethyl)-phenyl]-acetamidine
CID 9997296
N1-[3-(3,4-Dichlorophenyl)-3-(pyridin-2-yl)-propyl]-N2-[3-(1H-imidazol-4-yl)propyl]-guanidine
CID 10094258
1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 10342634
1-[Bis(4-chlorophenyl)methyl]-1H-imidazole
CID 20133543
N-(4-Chloro-benzyl)-3-[4-(1H-imidazol-4-ylmethyl)-phenyl]-propionamidine
CID 23368240
1-[[4-[(3-Chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine
CID 24805843
2-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrazine
CID 44345737
3-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyridine
CID 44345853

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine (CID 91126239) is N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine is Clc1ccc(CNC(c2ccccc2)c2ncc[nH]2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine?
The InChIKey is NBPOOJVLVAXRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c18-14-7-6-12(10-15(14)19)11-22-16(17-20-8-9-21-17)13-4-2-1-3-5-13/h1-10,16,22H,11H2,(H,20,21).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine?
N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine has a molecular weight of 332.23 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 91126239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).