N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide

C14H24N4O — CID 91798362

IUPACN-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide
SMILESCCN(CCN1CCCCCC1)C(=O)c1cnc[nH]1
InChIInChI=1S/C14H24N4O/c1-2-18(14(19)13-11-15-12-16-13)10-9-17-7-5-3-4-6-8-17/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyDQMVTFFSSREAPQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide

N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide (PubChem CID 91798362) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide
PubChem CID91798362
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide
SMILESCCN(CCN1CCCCCC1)C(=O)c1cnc[nH]1
InChIInChI=1S/C14H24N4O/c1-2-18(14(19)13-11-15-12-16-13)10-9-17-7-5-3-4-6-8-17/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyDQMVTFFSSREAPQ-UHFFFAOYSA-N
XLogP1.75
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide (CID 91798362) is N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide is CCN(CCN1CCCCCC1)C(=O)c1cnc[nH]1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide?
The InChIKey is DQMVTFFSSREAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-18(14(19)13-11-15-12-16-13)10-9-17-7-5-3-4-6-8-17/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide?
N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-ethyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91798362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).