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

C18H25ClN4O — CID 72904285

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1
InChIInChI=1S/C18H25ClN4O/c1-23-10-2-3-13(12-23)4-7-18(24)20-9-8-17-21-15-6-5-14(19)11-16(15)22-17/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyZAFHQDDQTAXCLW-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.00
Rot. Bonds6

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

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide (PubChem CID 72904285) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
PubChem CID72904285
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1
InChIInChI=1S/C18H25ClN4O/c1-23-10-2-3-13(12-23)4-7-18(24)20-9-8-17-21-15-6-5-14(19)11-16(15)22-17/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyZAFHQDDQTAXCLW-UHFFFAOYSA-N
XLogP3.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861496
formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 154885465
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125177273
2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089678
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 77078873
(3S,4S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
CID 119071006
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 92627755
1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 70768987
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]acetamide
CID 166618219
(2S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 125165861
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118788473

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide (CID 72904285) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide is CN1CCCC(CCC(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
The InChIKey is ZAFHQDDQTAXCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-23-10-2-3-13(12-23)4-7-18(24)20-9-8-17-21-15-6-5-14(19)11-16(15)22-17/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide has a molecular weight of 348.88 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 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]-3-(1-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 72904285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).