N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide

C21H26N4O2 — CID 16957982

IUPACN-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide
SMILESCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CC1CCCO1
InChIInChI=1S/C21H26N4O2/c1-4-18(26)24-21-19(20-22-16-9-5-6-10-17(16)23-20)13(2)14(3)25(21)12-15-8-7-11-27-15/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyFQKJROJAGJDCNQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.18
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide

N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide (PubChem CID 16957982) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide
PubChem CID16957982
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide
SMILESCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CC1CCCO1
InChIInChI=1S/C21H26N4O2/c1-4-18(26)24-21-19(20-22-16-9-5-6-10-17(16)23-20)13(2)14(3)25(21)12-15-8-7-11-27-15/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyFQKJROJAGJDCNQ-UHFFFAOYSA-N
XLogP4.18
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-methylbenzamide
CID 40893529
N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide
CID 7693280
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 102564334
N-(1H-benzimidazol-2-yl)-2-[[5-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41081307
2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 168554617
(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-4-[(2R)-oxolan-2-yl]butanenitrile
CID 94189112
1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea
CID 97438221
1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410355
2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
CID 7068341
2-[(2R)-1-[(2R)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
CID 908483
[2-[[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 9248540
2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
CID 154785175

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide (CID 16957982) is N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide is CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CC1CCCO1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide?
The InChIKey is FQKJROJAGJDCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-18(26)24-21-19(20-22-16-9-5-6-10-17(16)23-20)13(2)14(3)25(21)12-15-8-7-11-27-15/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide?
N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide has a molecular weight of 366.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide is sourced from PubChem (CID 16957982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).