3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide

C14H17ClN4O — CID 119789659

IUPAC3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
SMILESCC(N)CC(=O)Nc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-10(16)8-13(20)18-14-17-6-7-19(14)9-11-4-2-3-5-12(11)15/h2-7,10H,8-9,16H2,1H3,(H,17,18,20)
InChIKeyNWHVAPAMGMOUTQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.26
Rot. Bonds5

About 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide

3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide (PubChem CID 119789659) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
PubChem CID119789659
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
SMILESCC(N)CC(=O)Nc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-10(16)8-13(20)18-14-17-6-7-19(14)9-11-4-2-3-5-12(11)15/h2-7,10H,8-9,16H2,1H3,(H,17,18,20)
InChIKeyNWHVAPAMGMOUTQ-UHFFFAOYSA-N
XLogP2.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide?
The IUPAC name of 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide (CID 119789659) is 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide is CC(N)CC(=O)Nc1nccn1Cc1ccccc1Cl.
What is the InChIKey of 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide?
The InChIKey is NWHVAPAMGMOUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-10(16)8-13(20)18-14-17-6-7-19(14)9-11-4-2-3-5-12(11)15/h2-7,10H,8-9,16H2,1H3,(H,17,18,20).
What are the key properties of 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide?
3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide has a molecular weight of 292.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide is sourced from PubChem (CID 119789659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).