2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C21H24ClN5O2 — CID 53470001

IUPAC2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H24ClN5O2/c22-15-4-3-5-16(23)19(15)20(28)24-10-13-26-11-8-14(9-12-26)27-18-7-2-1-6-17(18)25-21(27)29/h1-7,14H,8-13,23H2,(H,24,28)(H,25,29)
InChIKeyXVCKYGNCOVIBGU-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.63
Rot. Bonds5

About 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 53470001) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID53470001
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H24ClN5O2/c22-15-4-3-5-16(23)19(15)20(28)24-10-13-26-11-8-14(9-12-26)27-18-7-2-1-6-17(18)25-21(27)29/h1-7,14H,8-13,23H2,(H,24,28)(H,25,29)
InChIKeyXVCKYGNCOVIBGU-UHFFFAOYSA-N
XLogP2.63
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428921
3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 25105699
2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428849
6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide
CID 53469989
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-8-carboxamide
CID 53470266
1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea
CID 53470261
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate
CID 53470248
4-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 53470220
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-fluoro-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 53300658
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]phenothiazine-10-carboxamide;2,2,2-trifluoroacetic acid
CID 53300663

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 53470001) is 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is Nc1cccc(Cl)c1C(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is XVCKYGNCOVIBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c22-15-4-3-5-16(23)19(15)20(28)24-10-13-26-11-8-14(9-12-26)27-18-7-2-1-6-17(18)25-21(27)29/h1-7,14H,8-13,23H2,(H,24,28)(H,25,29).
What are the key properties of 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 413.91 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 53470001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).