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

C14H15N5O — CID 115147912

IUPAC5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(N)cnc1N(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H15N5O/c1-8-5-9(15)7-16-13(8)19(2)10-3-4-11-12(6-10)18-14(20)17-11/h3-7H,15H2,1-2H3,(H2,17,18,20)
InChIKeyTYUAMRTZXXWYEM-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.91
Rot. Bonds2

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

5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115147912) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID115147912
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(N)cnc1N(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H15N5O/c1-8-5-9(15)7-16-13(8)19(2)10-3-4-11-12(6-10)18-14(20)17-11/h3-7H,15H2,1-2H3,(H2,17,18,20)
InChIKeyTYUAMRTZXXWYEM-UHFFFAOYSA-N
XLogP1.91
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,4-dimethylphenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147871
2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine
CID 115147909
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147885
2-N,3-dimethyl-2-N-(2-methyl-1H-indol-3-yl)pyridine-2,5-diamine
CID 115147900
2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
CID 115147926
1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115168271
ethyl 2-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoacetate
CID 115141927
5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
CID 117041078
5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147897
5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 82494084
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one (CID 115147912) is 5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one is Cc1cc(N)cnc1N(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is TYUAMRTZXXWYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8-5-9(15)7-16-13(8)19(2)10-3-4-11-12(6-10)18-14(20)17-11/h3-7H,15H2,1-2H3,(H2,17,18,20).
What are the key properties of 5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115147912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).