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

C10H18N4O — CID 123914441

IUPAC4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide
SMILESCc1[nH]cnc1CCNC(=O)CCCN
InChIInChI=1S/C10H18N4O/c1-8-9(14-7-13-8)4-6-12-10(15)3-2-5-11/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyDNRDOKHTNDGSOV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.12
Rot. Bonds6

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

4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide (PubChem CID 123914441) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide
PubChem CID123914441
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide
SMILESCc1[nH]cnc1CCNC(=O)CCCN
InChIInChI=1S/C10H18N4O/c1-8-9(14-7-13-8)4-6-12-10(15)3-2-5-11/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyDNRDOKHTNDGSOV-UHFFFAOYSA-N
XLogP0.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide (CID 123914441) is 4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide is Cc1[nH]cnc1CCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide?
The InChIKey is DNRDOKHTNDGSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-9(14-7-13-8)4-6-12-10(15)3-2-5-11/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide?
4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 123914441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).