1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

C17H17N5O — CID 143011546

IUPAC1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESC=CN(C)n1cnc2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C17H17N5O/c1-3-21(2)22-12-20-15-9-14(6-7-16(15)22)17(23)19-11-13-5-4-8-18-10-13/h3-10,12H,1,11H2,2H3,(H,19,23)
InChIKeyUQHSXOFKRVHGIQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.07
Rot. Bonds5

About 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 143011546) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
PubChem CID143011546
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESC=CN(C)n1cnc2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C17H17N5O/c1-3-21(2)22-12-20-15-9-14(6-7-16(15)22)17(23)19-11-13-5-4-8-18-10-13/h3-10,12H,1,11H2,2H3,(H,19,23)
InChIKeyUQHSXOFKRVHGIQ-UHFFFAOYSA-N
XLogP2.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
1-[3-(3-phenylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11259761
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175642857
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11328540
2-chloro-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787087
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 39048130

Frequently Asked Questions

What is the IUPAC name of 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (CID 143011546) is 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is C=CN(C)n1cnc2cc(C(=O)NCc3cccnc3)ccc21.
What is the InChIKey of 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is UQHSXOFKRVHGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-3-21(2)22-12-20-15-9-14(6-7-16(15)22)17(23)19-11-13-5-4-8-18-10-13/h3-10,12H,1,11H2,2H3,(H,19,23).
What are the key properties of 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 143011546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).