N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide

C20H20N4O — CID 77098209

IUPACN-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-c2ncc[nH]2)c1)C(c1ccccn1)C1CC1
InChIInChI=1S/C20H20N4O/c1-24(18(14-8-9-14)17-7-2-3-10-21-17)20(25)16-6-4-5-15(13-16)19-22-11-12-23-19/h2-7,10-14,18H,8-9H2,1H3,(H,22,23)
InChIKeyANGMOLYBMBMQSX-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.69
Rot. Bonds5

About N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide

N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide (PubChem CID 77098209) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
PubChem CID77098209
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-c2ncc[nH]2)c1)C(c1ccccn1)C1CC1
InChIInChI=1S/C20H20N4O/c1-24(18(14-8-9-14)17-7-2-3-10-21-17)20(25)16-6-4-5-15(13-16)19-22-11-12-23-19/h2-7,10-14,18H,8-9H2,1H3,(H,22,23)
InChIKeyANGMOLYBMBMQSX-UHFFFAOYSA-N
XLogP3.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
The IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide (CID 77098209) is N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
The canonical SMILES for N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide is CN(C(=O)c1cccc(-c2ncc[nH]2)c1)C(c1ccccn1)C1CC1.
What is the InChIKey of N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
The InChIKey is ANGMOLYBMBMQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-24(18(14-8-9-14)17-7-2-3-10-21-17)20(25)16-6-4-5-15(13-16)19-22-11-12-23-19/h2-7,10-14,18H,8-9H2,1H3,(H,22,23).
What are the key properties of N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide has a molecular weight of 332.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide is sourced from PubChem (CID 77098209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).