N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide

C17H24N4O — CID 119659188

IUPACN-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H24N4O/c1-13(2)16(18)8-10-20(3)17(22)14-4-6-15(7-5-14)21-11-9-19-12-21/h4-7,9,11-13,16H,8,10,18H2,1-3H3
InChIKeyBTXSYYLYJLXZIG-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.32
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide

N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide (PubChem CID 119659188) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
PubChem CID119659188
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H24N4O/c1-13(2)16(18)8-10-20(3)17(22)14-4-6-15(7-5-14)21-11-9-19-12-21/h4-7,9,11-13,16H,8,10,18H2,1-3H3
InChIKeyBTXSYYLYJLXZIG-UHFFFAOYSA-N
XLogP2.32
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide (CID 119659188) is N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide is CC(C)C(N)CCN(C)C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide?
The InChIKey is BTXSYYLYJLXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(2)16(18)8-10-20(3)17(22)14-4-6-15(7-5-14)21-11-9-19-12-21/h4-7,9,11-13,16H,8,10,18H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide has a molecular weight of 300.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide is sourced from PubChem (CID 119659188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).