N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine

C20H22N4O2 — CID 4217109

IUPACN-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(NC3CCCCC3)c(-c3ccccc3[N+](=O)[O-])nc2c1
InChIInChI=1S/C20H22N4O2/c1-14-11-12-23-18(13-14)22-19(16-9-5-6-10-17(16)24(25)26)20(23)21-15-7-3-2-4-8-15/h5-6,9-13,15,21H,2-4,7-8H2,1H3
InChIKeyMBVVPUWXISJMNH-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.96
Rot. Bonds4

About N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 4217109) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID4217109
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(NC3CCCCC3)c(-c3ccccc3[N+](=O)[O-])nc2c1
InChIInChI=1S/C20H22N4O2/c1-14-11-12-23-18(13-14)22-19(16-9-5-6-10-17(16)24(25)26)20(23)21-15-7-3-2-4-8-15/h5-6,9-13,15,21H,2-4,7-8H2,1H3
InChIKeyMBVVPUWXISJMNH-UHFFFAOYSA-N
XLogP4.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] phenylmethanesulfonate
CID 3557743
N-cyclopentyl-2-(2,3-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 1139308
3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 143687666
[2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 3904263
[2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-pentylbenzoate
CID 42658907
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzenesulfonate
CID 3439834
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate
CID 42743329
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,4,6-trimethylbenzenesulfonate
CID 3928909
N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 170913656
4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 855600
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octanoate
CID 3381982
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 42743325

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine (CID 4217109) is N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(NC3CCCCC3)c(-c3ccccc3[N+](=O)[O-])nc2c1.
What is the InChIKey of N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is MBVVPUWXISJMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-11-12-23-18(13-14)22-19(16-9-5-6-10-17(16)24(25)26)20(23)21-15-7-3-2-4-8-15/h5-6,9-13,15,21H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 350.42 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 4217109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).