N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide

C12H13N3O — CID 118576391

IUPACN-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide
SMILESCc1nccn1-c1cccc(CNC=O)c1
InChIInChI=1S/C12H13N3O/c1-10-14-5-6-15(10)12-4-2-3-11(7-12)8-13-9-16/h2-7,9H,8H2,1H3,(H,13,16)
InChIKeyLHKIEHUSPSPILW-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.43
Rot. Bonds4

About N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide

N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide (PubChem CID 118576391) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide
PubChem CID118576391
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide
SMILESCc1nccn1-c1cccc(CNC=O)c1
InChIInChI=1S/C12H13N3O/c1-10-14-5-6-15(10)12-4-2-3-11(7-12)8-13-9-16/h2-7,9H,8H2,1H3,(H,13,16)
InChIKeyLHKIEHUSPSPILW-UHFFFAOYSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole
CID 117355719
2-methyl-1-(3-nitrophenyl)imidazole
CID 59199671
2-[3-(2-methylimidazol-1-yl)phenyl]-2-oxoacetic acid
CID 117332176
azane;ethane;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]formamide
CID 166459667
1-[3-(2-methylimidazol-1-yl)phenyl]ethanol
CID 117290921
2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
N-methyl-1-[4-(2-methylimidazol-1-yl)-2-pyridinyl]methanamine
CID 62292766
[3-(2-methylimidazol-1-yl)phenyl] sulfamate
CID 10060816
N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 55059175
1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine
CID 117386048
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine
CID 117429401

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide?
The IUPAC name of N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide (CID 118576391) is N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide.
What is the SMILES notation for N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide?
The canonical SMILES for N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide is Cc1nccn1-c1cccc(CNC=O)c1.
What is the InChIKey of N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide?
The InChIKey is LHKIEHUSPSPILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-10-14-5-6-15(10)12-4-2-3-11(7-12)8-13-9-16/h2-7,9H,8H2,1H3,(H,13,16).
What are the key properties of N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide?
N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide has a molecular weight of 215.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide is sourced from PubChem (CID 118576391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).