N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide

C15H22N4O — CID 22493411

IUPACN-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide
SMILESCCC(C)NC(=O)c1ccccc1NCC1=NCCN1
InChIInChI=1S/C15H22N4O/c1-3-11(2)19-15(20)12-6-4-5-7-13(12)18-10-14-16-8-9-17-14/h4-7,11,18H,3,8-10H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyBBAKYBVOEXDMMA-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.63
Rot. Bonds6

About N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide

N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide (PubChem CID 22493411) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide
PubChem CID22493411
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide
SMILESCCC(C)NC(=O)c1ccccc1NCC1=NCCN1
InChIInChI=1S/C15H22N4O/c1-3-11(2)19-15(20)12-6-4-5-7-13(12)18-10-14-16-8-9-17-14/h4-7,11,18H,3,8-10H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyBBAKYBVOEXDMMA-UHFFFAOYSA-N
XLogP1.63
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide?
The IUPAC name of N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide (CID 22493411) is N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide?
The canonical SMILES for N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide is CCC(C)NC(=O)c1ccccc1NCC1=NCCN1.
What is the InChIKey of N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide?
The InChIKey is BBAKYBVOEXDMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-11(2)19-15(20)12-6-4-5-7-13(12)18-10-14-16-8-9-17-14/h4-7,11,18H,3,8-10H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide?
N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide has a molecular weight of 274.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide is sourced from PubChem (CID 22493411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).