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

C18H20FN5O2 — CID 146370750

IUPAC3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
SMILESCOc1ccnc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)c1
InChIInChI=1S/C18H20FN5O2/c1-26-15-4-5-20-14(9-15)11-23-17(25)12-2-3-16(19)13(8-12)10-24-18-21-6-7-22-18/h2-5,8-9H,6-7,10-11H2,1H3,(H,23,25)(H2,21,22,24)
InChIKeyRWJBVMFFPMBPMY-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.21
Rot. Bonds6

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

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (PubChem CID 146370750) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
PubChem CID146370750
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
SMILESCOc1ccnc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)c1
InChIInChI=1S/C18H20FN5O2/c1-26-15-4-5-20-14(9-15)11-23-17(25)12-2-3-16(19)13(8-12)10-24-18-21-6-7-22-18/h2-5,8-9H,6-7,10-11H2,1H3,(H,23,25)(H2,21,22,24)
InChIKeyRWJBVMFFPMBPMY-UHFFFAOYSA-N
XLogP1.21
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide with MolForge

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Related Compounds

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 146371004
N-[(4-methoxy-2-pyridinyl)methyl]acetamide
CID 121378949
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 136518818
3-[[1-[3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorophenyl]ethenylamino]methyl]benzonitrile
CID 153380020
N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide
CID 121367814
3-(5-chloro-6-methoxy-3-pyridinyl)-5-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 146370961
N-(2-fluoro-5-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400318
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112672
1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide
CID 160632843
N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601420

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (CID 146370750) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is COc1ccnc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)c1.
What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The InChIKey is RWJBVMFFPMBPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-26-15-4-5-20-14(9-15)11-23-17(25)12-2-3-16(19)13(8-12)10-24-18-21-6-7-22-18/h2-5,8-9H,6-7,10-11H2,1H3,(H,23,25)(H2,21,22,24).
What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide has a molecular weight of 357.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 146370750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).