4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

C22H23ClN4O2 — CID 17031635

IUPAC4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(Cn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)NC1CC1
InChIInChI=1S/C22H23ClN4O2/c23-16-9-7-15(8-10-16)22(29)24-13-3-6-20-26-18-4-1-2-5-19(18)27(20)14-21(28)25-17-11-12-17/h1-2,4-5,7-10,17H,3,6,11-14H2,(H,24,29)(H,25,28)
InChIKeyOXTMUESWPRFFCF-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.33
Rot. Bonds8

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

4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 17031635) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID17031635
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(Cn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)NC1CC1
InChIInChI=1S/C22H23ClN4O2/c23-16-9-7-15(8-10-16)22(29)24-13-3-6-20-26-18-4-1-2-5-19(18)27(20)14-21(28)25-17-11-12-17/h1-2,4-5,7-10,17H,3,6,11-14H2,(H,24,29)(H,25,28)
InChIKeyOXTMUESWPRFFCF-UHFFFAOYSA-N
XLogP3.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029542
N-[3-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-chlorobenzamide
CID 17031656
4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030905
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
N-[3-[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031242
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984581
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376
4-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991512

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (CID 17031635) is 4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is O=C(Cn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)NC1CC1.
What is the InChIKey of 4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is OXTMUESWPRFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-16-9-7-15(8-10-16)22(29)24-13-3-6-20-26-18-4-1-2-5-19(18)27(20)14-21(28)25-17-11-12-17/h1-2,4-5,7-10,17H,3,6,11-14H2,(H,24,29)(H,25,28).
What are the key properties of 4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 410.91 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 17031635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).