N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide

C26H27ClN4O2 — CID 46145157

IUPACN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
SMILESO=C(CN(C(=O)C1CCCC1)C1CC1)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C26H27ClN4O2/c27-20-11-6-12-22(15-20)31-16-23(18-7-2-1-3-8-18)28-26(31)29-24(32)17-30(21-13-14-21)25(33)19-9-4-5-10-19/h1-3,6-8,11-12,15-16,19,21H,4-5,9-10,13-14,17H2,(H,28,29,32)
InChIKeyWNXUFQNGLHGYEJ-UHFFFAOYSA-N
MW462.98 g/mol
LogP5.31
Rot. Bonds7

About N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide

N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide (PubChem CID 46145157) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
PubChem CID46145157
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC NameN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
SMILESO=C(CN(C(=O)C1CCCC1)C1CC1)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C26H27ClN4O2/c27-20-11-6-12-22(15-20)31-16-23(18-7-2-1-3-8-18)28-26(31)29-24(32)17-30(21-13-14-21)25(33)19-9-4-5-10-19/h1-3,6-8,11-12,15-16,19,21H,4-5,9-10,13-14,17H2,(H,28,29,32)
InChIKeyWNXUFQNGLHGYEJ-UHFFFAOYSA-N
XLogP5.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide?
The IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide (CID 46145157) is N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide?
The canonical SMILES for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide is O=C(CN(C(=O)C1CCCC1)C1CC1)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1.
What is the InChIKey of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide?
The InChIKey is WNXUFQNGLHGYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c27-20-11-6-12-22(15-20)31-16-23(18-7-2-1-3-8-18)28-26(31)29-24(32)17-30(21-13-14-21)25(33)19-9-4-5-10-19/h1-3,6-8,11-12,15-16,19,21H,4-5,9-10,13-14,17H2,(H,28,29,32).
What are the key properties of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide?
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide has a molecular weight of 462.98 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide is sourced from PubChem (CID 46145157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).