N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

C18H22N6O2 — CID 136662246

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C18H22N6O2/c1-11(2)18-21-12-5-3-4-6-13(12)24(18)10-17(26)20-8-7-15-22-14(19)9-16(25)23-15/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,26)(H3,19,22,23,25)
InChIKeySFVQTWOHLDADPR-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.18
Rot. Bonds6

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 136662246) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
PubChem CID136662246
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C18H22N6O2/c1-11(2)18-21-12-5-3-4-6-13(12)24(18)10-17(26)20-8-7-15-22-14(19)9-16(25)23-15/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,26)(H3,19,22,23,25)
InChIKeySFVQTWOHLDADPR-UHFFFAOYSA-N
XLogP1.18
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 97310895
N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 82150212
N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 4001792
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 137214432
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639
N-[1-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 4030007
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide
CID 17030013
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (CID 136662246) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is CC(C)c1nc2ccccc2n1CC(=O)NCCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is SFVQTWOHLDADPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11(2)18-21-12-5-3-4-6-13(12)24(18)10-17(26)20-8-7-15-22-14(19)9-16(25)23-15/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,26)(H3,19,22,23,25).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 136662246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).