4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C24H20Cl2N4O2 — CID 17030913

IUPAC4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C24H20Cl2N4O2/c25-17-10-8-16(9-11-17)24(32)27-13-12-22-29-20-6-1-2-7-21(20)30(22)15-23(31)28-19-5-3-4-18(26)14-19/h1-11,14H,12-13,15H2,(H,27,32)(H,28,31)
InChIKeyUGISLMJEVDPKBR-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.95
Rot. Bonds7

About 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17030913) has the molecular formula C24H20Cl2N4O2 and a molecular weight of 467.36 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17030913
Molecular FormulaC24H20Cl2N4O2
Molecular Weight467.36 g/mol
Exact Mass466.10
IUPAC Name4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C24H20Cl2N4O2/c25-17-10-8-16(9-11-17)24(32)27-13-12-22-29-20-6-1-2-7-21(20)30(22)15-23(31)28-19-5-3-4-18(26)14-19/h1-11,14H,12-13,15H2,(H,27,32)(H,28,31)
InChIKeyUGISLMJEVDPKBR-UHFFFAOYSA-N
XLogP4.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906
4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031599
2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031501
4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030933
N-[3-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-chlorobenzamide
CID 17031656
N-(3-chlorophenyl)-2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 17031158
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030905
4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751332

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17030913) is 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is O=C(Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is UGISLMJEVDPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2/c25-17-10-8-16(9-11-17)24(32)27-13-12-22-29-20-6-1-2-7-21(20)30(22)15-23(31)28-19-5-3-4-18(26)14-19/h1-11,14H,12-13,15H2,(H,27,32)(H,28,31).
What are the key properties of 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 467.36 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17030913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).