4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide

C12H17N5O — CID 10263997

IUPAC4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESO=C(CCCc1cnc[nH]1)NCCc1cnc[nH]1
InChIInChI=1S/C12H17N5O/c18-12(3-1-2-10-6-13-8-16-10)15-5-4-11-7-14-9-17-11/h6-9H,1-5H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyLZMLLTDNTHEXCT-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.81
Rot. Bonds7

About 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide

4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (PubChem CID 10263997) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
PubChem CID10263997
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESO=C(CCCc1cnc[nH]1)NCCc1cnc[nH]1
InChIInChI=1S/C12H17N5O/c18-12(3-1-2-10-6-13-8-16-10)15-5-4-11-7-14-9-17-11/h6-9H,1-5H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyLZMLLTDNTHEXCT-UHFFFAOYSA-N
XLogP0.81
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (CID 10263997) is 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide is O=C(CCCc1cnc[nH]1)NCCc1cnc[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The InChIKey is LZMLLTDNTHEXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c18-12(3-1-2-10-6-13-8-16-10)15-5-4-11-7-14-9-17-11/h6-9H,1-5H2,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide has a molecular weight of 247.30 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 10263997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).