N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide

C18H23ClN4O — CID 136563977

IUPACN-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide
SMILESCCn1cnc2c1CCN(C(C)C(=O)Nc1cccc(Cl)c1C)C2
InChIInChI=1S/C18H23ClN4O/c1-4-22-11-20-16-10-23(9-8-17(16)22)13(3)18(24)21-15-7-5-6-14(19)12(15)2/h5-7,11,13H,4,8-10H2,1-3H3,(H,21,24)
InChIKeyFWBIGNXEMCBRQW-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.25
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide

N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide (PubChem CID 136563977) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide
PubChem CID136563977
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide
SMILESCCn1cnc2c1CCN(C(C)C(=O)Nc1cccc(Cl)c1C)C2
InChIInChI=1S/C18H23ClN4O/c1-4-22-11-20-16-10-23(9-8-17(16)22)13(3)18(24)21-15-7-5-6-14(19)12(15)2/h5-7,11,13H,4,8-10H2,1-3H3,(H,21,24)
InChIKeyFWBIGNXEMCBRQW-UHFFFAOYSA-N
XLogP3.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide (CID 136563977) is N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide is CCn1cnc2c1CCN(C(C)C(=O)Nc1cccc(Cl)c1C)C2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide?
The InChIKey is FWBIGNXEMCBRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-4-22-11-20-16-10-23(9-8-17(16)22)13(3)18(24)21-15-7-5-6-14(19)12(15)2/h5-7,11,13H,4,8-10H2,1-3H3,(H,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide?
N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide has a molecular weight of 346.86 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide is sourced from PubChem (CID 136563977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).