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

C25H26ClN5O2 — CID 146370936

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)cc1Cl
InChIInChI=1S/C25H26ClN5O2/c1-16-5-6-27-15-21(16)19-9-18(14-31-25-28-7-8-29-25)10-20(12-19)24(32)30-13-17-3-4-23(33-2)22(26)11-17/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,30,32)(H2,28,29,31)
InChIKeyRWCHPXIGOOPYBS-UHFFFAOYSA-N
MW463.97 g/mol
LogP3.70
Rot. Bonds7

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

N-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide (PubChem CID 146370936) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
PubChem CID146370936
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)cc1Cl
InChIInChI=1S/C25H26ClN5O2/c1-16-5-6-27-15-21(16)19-9-18(14-31-25-28-7-8-29-25)10-20(12-19)24(32)30-13-17-3-4-23(33-2)22(26)11-17/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,30,32)(H2,28,29,31)
InChIKeyRWCHPXIGOOPYBS-UHFFFAOYSA-N
XLogP3.70
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide (CID 146370936) is N-[(3-chloro-4-methoxyphenyl)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-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide is COc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is RWCHPXIGOOPYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-16-5-6-27-15-21(16)19-9-18(14-31-25-28-7-8-29-25)10-20(12-19)24(32)30-13-17-3-4-23(33-2)22(26)11-17/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,30,32)(H2,28,29,31).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
N-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 463.97 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 146370936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).