N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide

C17H21N3O — CID 123391928

IUPACN-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide
SMILESCCn1c(-c2ccc(C(=O)NC3CC3)c(C)c2)cnc1C
InChIInChI=1S/C17H21N3O/c1-4-20-12(3)18-10-16(20)13-5-8-15(11(2)9-13)17(21)19-14-6-7-14/h5,8-10,14H,4,6-7H2,1-3H3,(H,19,21)
InChIKeyMNHWZHVGQGBFAH-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.08
Rot. Bonds4

About N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide

N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide (PubChem CID 123391928) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide
PubChem CID123391928
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide
SMILESCCn1c(-c2ccc(C(=O)NC3CC3)c(C)c2)cnc1C
InChIInChI=1S/C17H21N3O/c1-4-20-12(3)18-10-16(20)13-5-8-15(11(2)9-13)17(21)19-14-6-7-14/h5,8-10,14H,4,6-7H2,1-3H3,(H,19,21)
InChIKeyMNHWZHVGQGBFAH-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382091
2-[[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-b]pyridazin-8-yl]amino]ethanesulfonic acid
CID 87112998
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380552
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691900
4-[6-chloro-8-[(3,3,3-trifluoro-2-hydroxypropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 87110347
4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 118643528
[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid
CID 88995651
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691822
N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 118102453
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67974322
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide (CID 123391928) is N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide is CCn1c(-c2ccc(C(=O)NC3CC3)c(C)c2)cnc1C.
What is the InChIKey of N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide?
The InChIKey is MNHWZHVGQGBFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-20-12(3)18-10-16(20)13-5-8-15(11(2)9-13)17(21)19-14-6-7-14/h5,8-10,14H,4,6-7H2,1-3H3,(H,19,21).
What are the key properties of N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide?
N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide is sourced from PubChem (CID 123391928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).