[6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate

C18H17N5O3 — CID 153424324

IUPAC[6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate
SMILESCn1c(=O)n(C)c2cc(CNc3ccc4nccn4c3OC=O)ccc21
InChIInChI=1S/C18H17N5O3/c1-21-14-5-3-12(9-15(14)22(2)18(21)25)10-20-13-4-6-16-19-7-8-23(16)17(13)26-11-24/h3-9,11,20H,10H2,1-2H3
InChIKeyINJJGIUMDJBLCX-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.67
Rot. Bonds5

About [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate

[6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate (PubChem CID 153424324) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate.

Molecular Properties

Compound Name[6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate
PubChem CID153424324
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name[6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate
SMILESCn1c(=O)n(C)c2cc(CNc3ccc4nccn4c3OC=O)ccc21
InChIInChI=1S/C18H17N5O3/c1-21-14-5-3-12(9-15(14)22(2)18(21)25)10-20-13-4-6-16-19-7-8-23(16)17(13)26-11-24/h3-9,11,20H,10H2,1-2H3
InChIKeyINJJGIUMDJBLCX-UHFFFAOYSA-N
XLogP1.67
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate
CID 147073827
5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 6472192
1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one
CID 39841176
5-[[2-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 17151617
1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one
CID 72875537
5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
3-[[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 17058738
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 90650071
1,3-dimethyl-5-[[[(2S)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]benzimidazol-2-one
CID 95132562
5-[(1-hydroxybutan-2-ylamino)methyl]-1,3-dimethylbenzimidazol-2-one chloride
CID 53314625
5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 132912487

Frequently Asked Questions

What is the IUPAC name of [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate?
The IUPAC name of [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate (CID 153424324) is [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate.
What is the SMILES notation for [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate?
The canonical SMILES for [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate is Cn1c(=O)n(C)c2cc(CNc3ccc4nccn4c3OC=O)ccc21.
What is the InChIKey of [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate?
The InChIKey is INJJGIUMDJBLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-21-14-5-3-12(9-15(14)22(2)18(21)25)10-20-13-4-6-16-19-7-8-23(16)17(13)26-11-24/h3-9,11,20H,10H2,1-2H3.
What are the key properties of [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate?
[6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate has a molecular weight of 351.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate is sourced from PubChem (CID 153424324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).