2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide

C19H25N5O2 — CID 110121958

IUPAC2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC(=O)NCc1cn(-c2ccccc2C(=O)NC2CCN(C)CC2)cn1
InChIInChI=1S/C19H25N5O2/c1-14(25)20-11-16-12-24(13-21-16)18-6-4-3-5-17(18)19(26)22-15-7-9-23(2)10-8-15/h3-6,12-13,15H,7-11H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyBIBBLRNXVFQTCD-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.33
Rot. Bonds5

About 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide

2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 110121958) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID110121958
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC(=O)NCc1cn(-c2ccccc2C(=O)NC2CCN(C)CC2)cn1
InChIInChI=1S/C19H25N5O2/c1-14(25)20-11-16-12-24(13-21-16)18-6-4-3-5-17(18)19(26)22-15-7-9-23(2)10-8-15/h3-6,12-13,15H,7-11H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyBIBBLRNXVFQTCD-UHFFFAOYSA-N
XLogP1.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide
CID 124999503
N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide
CID 110121883
2-[4-[[(1-methylpyrazole-3-carbonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098582
2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide
CID 110121898
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121856
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 110121961
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
CID 54045835
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 110121932

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide (CID 110121958) is 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide is CC(=O)NCc1cn(-c2ccccc2C(=O)NC2CCN(C)CC2)cn1.
What is the InChIKey of 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is BIBBLRNXVFQTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(25)20-11-16-12-24(13-21-16)18-6-4-3-5-17(18)19(26)22-15-7-9-23(2)10-8-15/h3-6,12-13,15H,7-11H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide?
2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110121958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).