N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide

C25H21Cl2N3O2 — CID 146370941

IUPACN-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1-c1cc(Cn2ccnc2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C25H21Cl2N3O2/c1-32-24-5-3-2-4-21(24)19-10-18(15-30-9-8-28-16-30)11-20(13-19)25(31)29-14-17-6-7-22(26)23(27)12-17/h2-13,16H,14-15H2,1H3,(H,29,31)
InChIKeyZGHSAUNYSOAFQT-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.84
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide

N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide (PubChem CID 146370941) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide
PubChem CID146370941
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1-c1cc(Cn2ccnc2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C25H21Cl2N3O2/c1-32-24-5-3-2-4-21(24)19-10-18(15-30-9-8-28-16-30)11-20(13-19)25(31)29-14-17-6-7-22(26)23(27)12-17/h2-13,16H,14-15H2,1H3,(H,29,31)
InChIKeyZGHSAUNYSOAFQT-UHFFFAOYSA-N
XLogP5.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide
CID 47027170
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216017
3-(4-chloro-2-azaspiro[5.9]pentadecan-5-yl)-N-[(3,4-dichlorophenyl)methyl]-5-(imidazol-1-ylmethyl)benzamide
CID 146388359
N-[(3,4-dichlorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-methoxy-5-methylphenyl)benzamide
CID 146388353
methyl 3-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate
CID 37426793
3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide
CID 146371044
1-[(3,4-dichlorophenyl)methyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917712
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 43922691
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55645960

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide (CID 146370941) is N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide is COc1ccccc1-c1cc(Cn2ccnc2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide?
The InChIKey is ZGHSAUNYSOAFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-32-24-5-3-2-4-21(24)19-10-18(15-30-9-8-28-16-30)11-20(13-19)25(31)29-14-17-6-7-22(26)23(27)12-17/h2-13,16H,14-15H2,1H3,(H,29,31).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide?
N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide has a molecular weight of 466.37 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 146370941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).