N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide

C20H21ClN4O — CID 23562986

IUPACN-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)NCCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C20H21ClN4O/c21-16-6-4-15(5-7-16)18(19-3-1-2-11-23-19)10-12-24-20(26)9-8-17-13-22-14-25-17/h1-7,11,13-14,18H,8-10,12H2,(H,22,25)(H,24,26)
InChIKeyBTMIKSCMGOOYRY-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.73
Rot. Bonds8

About N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide

N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 23562986) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID23562986
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)NCCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C20H21ClN4O/c21-16-6-4-15(5-7-16)18(19-3-1-2-11-23-19)10-12-24-20(26)9-8-17-13-22-14-25-17/h1-7,11,13-14,18H,8-10,12H2,(H,22,25)(H,24,26)
InChIKeyBTMIKSCMGOOYRY-UHFFFAOYSA-N
XLogP3.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide (CID 23562986) is N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide is O=C(CCc1cnc[nH]1)NCCC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is BTMIKSCMGOOYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-16-6-4-15(5-7-16)18(19-3-1-2-11-23-19)10-12-24-20(26)9-8-17-13-22-14-25-17/h1-7,11,13-14,18H,8-10,12H2,(H,22,25)(H,24,26).
What are the key properties of N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide?
N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 368.87 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 23562986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).