N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C18H23ClN4O — CID 75425810

IUPACN-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCn1c(CCNC(=O)N2CC3CCCC3C2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H23ClN4O/c1-22-16-6-5-14(19)9-15(16)21-17(22)7-8-20-18(24)23-10-12-3-2-4-13(12)11-23/h5-6,9,12-13H,2-4,7-8,10-11H2,1H3,(H,20,24)
InChIKeyWOKCZBIAXDBANC-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.21
Rot. Bonds3

About N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 75425810) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID75425810
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCn1c(CCNC(=O)N2CC3CCCC3C2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H23ClN4O/c1-22-16-6-5-14(19)9-15(16)21-17(22)7-8-20-18(24)23-10-12-3-2-4-13(12)11-23/h5-6,9,12-13H,2-4,7-8,10-11H2,1H3,(H,20,24)
InChIKeyWOKCZBIAXDBANC-UHFFFAOYSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Related Compounds

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1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
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2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
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3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
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4-(5-chloro-1-methylbenzimidazol-2-yl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
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1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
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methyl (2S,3aS,7aR)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
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N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
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2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 75425810) is N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is Cn1c(CCNC(=O)N2CC3CCCC3C2)nc2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is WOKCZBIAXDBANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-22-16-6-5-14(19)9-15(16)21-17(22)7-8-20-18(24)23-10-12-3-2-4-13(12)11-23/h5-6,9,12-13H,2-4,7-8,10-11H2,1H3,(H,20,24).
What are the key properties of N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 75425810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).