2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide

C20H22N4O2 — CID 119843774

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c25-19(10-12-8-13-3-4-14(9-12)21-13)22-15-5-6-16-17(11-15)24-20(23-16)18-2-1-7-26-18/h1-2,5-7,11-14,21H,3-4,8-10H2,(H,22,25)(H,23,24)
InChIKeyJHAMMZMIQHKCMJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.68
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 119843774) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
PubChem CID119843774
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c25-19(10-12-8-13-3-4-14(9-12)21-13)22-15-5-6-16-17(11-15)24-20(23-16)18-2-1-7-26-18/h1-2,5-7,11-14,21H,3-4,8-10H2,(H,22,25)(H,23,24)
InChIKeyJHAMMZMIQHKCMJ-UHFFFAOYSA-N
XLogP3.68
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55945477
2-(2-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 155963168
2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 163397662
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
CID 47067261
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 60526152
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119734492
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 119813696
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide (CID 119843774) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccc2nc(-c3ccco3)[nH]c2c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is JHAMMZMIQHKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(10-12-8-13-3-4-14(9-12)21-13)22-15-5-6-16-17(11-15)24-20(23-16)18-2-1-7-26-18/h1-2,5-7,11-14,21H,3-4,8-10H2,(H,22,25)(H,23,24).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 119843774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).