3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine

C15H15N5O2 — CID 133415000

IUPAC3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C15H15N5O2/c1-9-4-3-5-12-14(9)19-13(18-12)8-17-15-10(2)6-11(7-16-15)20(21)22/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySGVUPSLWAVDVIC-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.10
Rot. Bonds4

About 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine

3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine (PubChem CID 133415000) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine
PubChem CID133415000
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C15H15N5O2/c1-9-4-3-5-12-14(9)19-13(18-12)8-17-15-10(2)6-11(7-16-15)20(21)22/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySGVUPSLWAVDVIC-UHFFFAOYSA-N
XLogP3.10
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
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

N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
N-methyl-4-[(4-methyl-1H-benzimidazol-2-yl)methylamino]-3-nitrobenzenesulfonamide
CID 133414972
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-3-methyl-5-nitropyridin-2-amine
CID 133443456
N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 62950842
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 56571040
N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine
CID 113234160
N-[[4-(difluoromethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 133474672
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
CID 55081127
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
3-methyl-5-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133380091
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine (CID 133415000) is 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCc1nc2c(C)cccc2[nH]1.
What is the InChIKey of 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine?
The InChIKey is SGVUPSLWAVDVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-4-3-5-12-14(9)19-13(18-12)8-17-15-10(2)6-11(7-16-15)20(21)22/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine?
3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine has a molecular weight of 297.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133415000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).