N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide

C12H20N4O — CID 64568957

IUPACN-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
SMILESCn1ccnc1CNC(=O)C1CCCCCN1
InChIInChI=1S/C12H20N4O/c1-16-8-7-14-11(16)9-15-12(17)10-5-3-2-4-6-13-10/h7-8,10,13H,2-6,9H2,1H3,(H,15,17)
InChIKeyUJSXJOWXWUKHOO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.57
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide

N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide (PubChem CID 64568957) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
PubChem CID64568957
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
SMILESCn1ccnc1CNC(=O)C1CCCCCN1
InChIInChI=1S/C12H20N4O/c1-16-8-7-14-11(16)9-15-12(17)10-5-3-2-4-6-13-10/h7-8,10,13H,2-6,9H2,1H3,(H,15,17)
InChIKeyUJSXJOWXWUKHOO-UHFFFAOYSA-N
XLogP0.57
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 63293631
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
1-(azepan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533288
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470805
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119876342
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
CID 64563265

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide (CID 64568957) is N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide is Cn1ccnc1CNC(=O)C1CCCCCN1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide?
The InChIKey is UJSXJOWXWUKHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-8-7-14-11(16)9-15-12(17)10-5-3-2-4-6-13-10/h7-8,10,13H,2-6,9H2,1H3,(H,15,17).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide is sourced from PubChem (CID 64568957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).