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

C24H27ClN4O2 — CID 16977264

IUPAC4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC1CCCCN1C(=O)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H27ClN4O2/c1-17-6-4-5-15-28(17)23(30)16-29-21-8-3-2-7-20(21)27-22(29)13-14-26-24(31)18-9-11-19(25)12-10-18/h2-3,7-12,17H,4-6,13-16H2,1H3,(H,26,31)
InChIKeyKEJXETOCMOMTKE-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.06
Rot. Bonds6

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

4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977264) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977264
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC1CCCCN1C(=O)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H27ClN4O2/c1-17-6-4-5-15-28(17)23(30)16-29-21-8-3-2-7-20(21)27-22(29)13-14-26-24(31)18-9-11-19(25)12-10-18/h2-3,7-12,17H,4-6,13-16H2,1H3,(H,26,31)
InChIKeyKEJXETOCMOMTKE-UHFFFAOYSA-N
XLogP4.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964375
2,2-dimethyl-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16975055
2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990062
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981753
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982026
4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976813
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16997427
N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992654
2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994112
propan-2-yl 2-[2-[2-[(4-chlorobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16977270
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16977264) is 4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CC1CCCCN1C(=O)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is KEJXETOCMOMTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-17-6-4-5-15-28(17)23(30)16-29-21-8-3-2-7-20(21)27-22(29)13-14-26-24(31)18-9-11-19(25)12-10-18/h2-3,7-12,17H,4-6,13-16H2,1H3,(H,26,31).
What are the key properties of 4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 438.96 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).