N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide

C26H25ClN4O — CID 141350760

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(c2ccccc2C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)CCN1
InChIInChI=1S/C26H25ClN4O/c1-16-14-17(12-13-28-16)19-6-2-3-7-20(19)26(32)29-18-10-11-22(27)21(15-18)25-30-23-8-4-5-9-24(23)31-25/h2-11,15-17,28H,12-14H2,1H3,(H,29,32)(H,30,31)
InChIKeyJPEOUPXSGKSYGF-UHFFFAOYSA-N
MW444.97 g/mol
LogP5.99
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide (PubChem CID 141350760) has the molecular formula C26H25ClN4O and a molecular weight of 444.97 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide
PubChem CID141350760
Molecular FormulaC26H25ClN4O
Molecular Weight444.97 g/mol
Exact Mass444.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(c2ccccc2C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)CCN1
InChIInChI=1S/C26H25ClN4O/c1-16-14-17(12-13-28-16)19-6-2-3-7-20(19)26(32)29-18-10-11-22(27)21(15-18)25-30-23-8-4-5-9-24(23)31-25/h2-11,15-17,28H,12-14H2,1H3,(H,29,32)(H,30,31)
InChIKeyJPEOUPXSGKSYGF-UHFFFAOYSA-N
XLogP5.99
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.97
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide (CID 141350760) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide is CC1CC(c2ccccc2C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)CCN1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is JPEOUPXSGKSYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O/c1-16-14-17(12-13-28-16)19-6-2-3-7-20(19)26(32)29-18-10-11-22(27)21(15-18)25-30-23-8-4-5-9-24(23)31-25/h2-11,15-17,28H,12-14H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 444.97 g/mol, XLogP of 5.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 141350760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).