5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one

C20H18N4O — CID 154976770

IUPAC5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cc3cncc(NCc4ccccc4)c3)cc2[nH]1
InChIInChI=1S/C20H18N4O/c25-20-23-18-7-6-15(10-19(18)24-20)8-16-9-17(13-21-11-16)22-12-14-4-2-1-3-5-14/h1-7,9-11,13,22H,8,12H2,(H2,23,24,25)
InChIKeyHTSUKFUJSHTLPD-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.45
Rot. Bonds5

About 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 154976770) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID154976770
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cc3cncc(NCc4ccccc4)c3)cc2[nH]1
InChIInChI=1S/C20H18N4O/c25-20-23-18-7-6-15(10-19(18)24-20)8-16-9-17(13-21-11-16)22-12-14-4-2-1-3-5-14/h1-7,9-11,13,22H,8,12H2,(H2,23,24,25)
InChIKeyHTSUKFUJSHTLPD-UHFFFAOYSA-N
XLogP3.45
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
N-benzyl-5-chloropyridin-3-amine
CID 146273772
4-(benzylamino)-1H-pyridazin-6-one
CID 150739515
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 70772498
5-[(4-aminophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926027
5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 158499935
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113900
5-benzyl-1,3-dihydrobenzimidazole-2-thione
CID 21269540
5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one
CID 55110337

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one (CID 154976770) is 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(Cc3cncc(NCc4ccccc4)c3)cc2[nH]1.
What is the InChIKey of 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HTSUKFUJSHTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20-23-18-7-6-15(10-19(18)24-20)8-16-9-17(13-21-11-16)22-12-14-4-2-1-3-5-14/h1-7,9-11,13,22H,8,12H2,(H2,23,24,25).
What are the key properties of 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 330.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 154976770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).