N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide

C16H17Cl2N5O — CID 166278394

IUPACN-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
SMILESCc1cnc(CCC(=O)NC(C)c2nc3cc(Cl)c(Cl)cc3[nH]2)[nH]1
InChIInChI=1S/C16H17Cl2N5O/c1-8-7-19-14(20-8)3-4-15(24)21-9(2)16-22-12-5-10(17)11(18)6-13(12)23-16/h5-7,9H,3-4H2,1-2H3,(H,19,20)(H,21,24)(H,22,23)
InChIKeyFDGJIHYQPGAHGA-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.71
Rot. Bonds5

About N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide

N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide (PubChem CID 166278394) has the molecular formula C16H17Cl2N5O and a molecular weight of 366.25 g/mol. Its IUPAC name is N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
PubChem CID166278394
Molecular FormulaC16H17Cl2N5O
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC NameN-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
SMILESCc1cnc(CCC(=O)NC(C)c2nc3cc(Cl)c(Cl)cc3[nH]2)[nH]1
InChIInChI=1S/C16H17Cl2N5O/c1-8-7-19-14(20-8)3-4-15(24)21-9(2)16-22-12-5-10(17)11(18)6-13(12)23-16/h5-7,9H,3-4H2,1-2H3,(H,19,20)(H,21,24)(H,22,23)
InChIKeyFDGJIHYQPGAHGA-UHFFFAOYSA-N
XLogP3.71
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(5,6-dichloro-1H-benzimidazol-2-yl)propanethioic S-acid
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N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
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4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide?
The IUPAC name of N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide (CID 166278394) is N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide.
What is the SMILES notation for N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide?
The canonical SMILES for N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide is Cc1cnc(CCC(=O)NC(C)c2nc3cc(Cl)c(Cl)cc3[nH]2)[nH]1.
What is the InChIKey of N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide?
The InChIKey is FDGJIHYQPGAHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O/c1-8-7-19-14(20-8)3-4-15(24)21-9(2)16-22-12-5-10(17)11(18)6-13(12)23-16/h5-7,9H,3-4H2,1-2H3,(H,19,20)(H,21,24)(H,22,23).
What are the key properties of N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide?
N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide has a molecular weight of 366.25 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 166278394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).