N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide

C19H27ClN4O — CID 97197890

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)CC[C@@H]1CCCCN1C
InChIInChI=1S/C19H27ClN4O/c1-23-11-4-3-5-15(23)7-9-19(25)24(2)12-10-18-21-16-8-6-14(20)13-17(16)22-18/h6,8,13,15H,3-5,7,9-12H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyPHPMBEXUUXMCGM-HNNXBMFYSA-N
MW362.91 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide (PubChem CID 97197890) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
PubChem CID97197890
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)CC[C@@H]1CCCCN1C
InChIInChI=1S/C19H27ClN4O/c1-23-11-4-3-5-15(23)7-9-19(25)24(2)12-10-18-21-16-8-6-14(20)13-17(16)22-18/h6,8,13,15H,3-5,7,9-12H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyPHPMBEXUUXMCGM-HNNXBMFYSA-N
XLogP3.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 95204074
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-piperidin-1-ylbutanamide
CID 72932463
(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97145314
N-methyl-3-(1-methylpiperidin-2-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 50967172
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
CID 124752699
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72904285
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 125174045
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 46964835
(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97191799
1-(azepan-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide (CID 97197890) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide is CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)CC[C@@H]1CCCCN1C.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The InChIKey is PHPMBEXUUXMCGM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN4O/c1-23-11-4-3-5-15(23)7-9-19(25)24(2)12-10-18-21-16-8-6-14(20)13-17(16)22-18/h6,8,13,15H,3-5,7,9-12H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide has a molecular weight of 362.91 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide is sourced from PubChem (CID 97197890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).