N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide

C18H17ClN8O2 — CID 138576903

IUPACN-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1
InChIInChI=1S/C18H17ClN8O2/c1-3-15(28)21-14-9-4-6-11(20-14)10-29-18-22-16-12(19)7-5-8-13(16)27(18)17-23-24-25-26(17)2/h4-9H,3,10H2,1-2H3,(H,20,21,28)
InChIKeyZAMAIVTTZAWCCM-UHFFFAOYSA-N
MW412.84 g/mol
LogP2.52
Rot. Bonds6

About N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide

N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide (PubChem CID 138576903) has the molecular formula C18H17ClN8O2 and a molecular weight of 412.84 g/mol. Its IUPAC name is N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide
PubChem CID138576903
Molecular FormulaC18H17ClN8O2
Molecular Weight412.84 g/mol
Exact Mass412.12
IUPAC NameN-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1
InChIInChI=1S/C18H17ClN8O2/c1-3-15(28)21-14-9-4-6-11(20-14)10-29-18-22-16-12(19)7-5-8-13(16)27(18)17-23-24-25-26(17)2/h4-9H,3,10H2,1-2H3,(H,20,21,28)
InChIKeyZAMAIVTTZAWCCM-UHFFFAOYSA-N
XLogP2.52
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide?
The IUPAC name of N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide (CID 138576903) is N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide is CCC(=O)Nc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1.
What is the InChIKey of N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide?
The InChIKey is ZAMAIVTTZAWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN8O2/c1-3-15(28)21-14-9-4-6-11(20-14)10-29-18-22-16-12(19)7-5-8-13(16)27(18)17-23-24-25-26(17)2/h4-9H,3,10H2,1-2H3,(H,20,21,28).
What are the key properties of N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide?
N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide has a molecular weight of 412.84 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 138576903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).