N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide

C24H23ClFN5O — CID 146370758

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1-c1cc(CNC2=NCCN2)cc(C(=O)NCc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C24H23ClFN5O/c1-15-2-3-27-14-22(15)18-6-16(13-31-24-28-4-5-29-24)7-19(10-18)23(32)30-12-17-8-20(25)11-21(26)9-17/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,30,32)(H2,28,29,31)
InChIKeyGVGKNOIQPDRMNV-UHFFFAOYSA-N
MW451.93 g/mol
LogP3.83
Rot. Bonds6

About N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide

N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide (PubChem CID 146370758) has the molecular formula C24H23ClFN5O and a molecular weight of 451.93 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
PubChem CID146370758
Molecular FormulaC24H23ClFN5O
Molecular Weight451.93 g/mol
Exact Mass451.16
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1-c1cc(CNC2=NCCN2)cc(C(=O)NCc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C24H23ClFN5O/c1-15-2-3-27-14-22(15)18-6-16(13-31-24-28-4-5-29-24)7-19(10-18)23(32)30-12-17-8-20(25)11-21(26)9-17/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,30,32)(H2,28,29,31)
InChIKeyGVGKNOIQPDRMNV-UHFFFAOYSA-N
XLogP3.83
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide (CID 146370758) is N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide is Cc1ccncc1-c1cc(CNC2=NCCN2)cc(C(=O)NCc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is GVGKNOIQPDRMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O/c1-15-2-3-27-14-22(15)18-6-16(13-31-24-28-4-5-29-24)7-19(10-18)23(32)30-12-17-8-20(25)11-21(26)9-17/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,30,32)(H2,28,29,31).
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 451.93 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 146370758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).