(4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H21N5O3 — CID 95205110

IUPAC(4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCc2nc3c(C)cccc3[nH]2)[C@H](c2ccoc2)NC(=O)N1
InChIInChI=1S/C20H21N5O3/c1-11-4-3-5-14-17(11)24-15(23-14)6-8-21-19(26)16-12(2)22-20(27)25-18(16)13-7-9-28-10-13/h3-5,7,9-10,18H,6,8H2,1-2H3,(H,21,26)(H,23,24)(H2,22,25,27)/t18-/m0/s1
InChIKeyPTSQMKRWGVSEAY-SFHVURJKSA-N
MW379.42 g/mol
LogP2.45
Rot. Bonds5

About (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95205110) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95205110
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCc2nc3c(C)cccc3[nH]2)[C@H](c2ccoc2)NC(=O)N1
InChIInChI=1S/C20H21N5O3/c1-11-4-3-5-14-17(11)24-15(23-14)6-8-21-19(26)16-12(2)22-20(27)25-18(16)13-7-9-28-10-13/h3-5,7,9-10,18H,6,8H2,1-2H3,(H,21,26)(H,23,24)(H2,22,25,27)/t18-/m0/s1
InChIKeyPTSQMKRWGVSEAY-SFHVURJKSA-N
XLogP2.45
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-(furan-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 162668956
2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118796145
(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56912067
2-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 77086079
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 126439930
2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 26402073
1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 119059522
(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 136821254
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride
CID 154903516
3-(4-methyl-1H-benzimidazol-2-yl)-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 166227033
[6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol
CID 169215286

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95205110) is (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCCc2nc3c(C)cccc3[nH]2)[C@H](c2ccoc2)NC(=O)N1.
What is the InChIKey of (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is PTSQMKRWGVSEAY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11-4-3-5-14-17(11)24-15(23-14)6-8-21-19(26)16-12(2)22-20(27)25-18(16)13-7-9-28-10-13/h3-5,7,9-10,18H,6,8H2,1-2H3,(H,21,26)(H,23,24)(H2,22,25,27)/t18-/m0/s1.
What are the key properties of (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95205110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).