5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

C21H20N4O2 — CID 163360725

IUPAC5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)[nH]c(-c3nc4ccccc4[nH]3)c2C)cc1
InChIInChI=1S/C21H20N4O2/c1-12-18(21(26)23-14-8-10-15(27-3)11-9-14)13(2)22-19(12)20-24-16-6-4-5-7-17(16)25-20/h4-11,22H,1-3H3,(H,23,26)(H,24,25)
InChIKeyNSUHMPOZOGGCCC-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.44
Rot. Bonds4

About 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 163360725) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID163360725
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)[nH]c(-c3nc4ccccc4[nH]3)c2C)cc1
InChIInChI=1S/C21H20N4O2/c1-12-18(21(26)23-14-8-10-15(27-3)11-9-14)13(2)22-19(12)20-24-16-6-4-5-7-17(16)25-20/h4-11,22H,1-3H3,(H,23,26)(H,24,25)
InChIKeyNSUHMPOZOGGCCC-UHFFFAOYSA-N
XLogP4.44
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
methyl 5-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoyl]-3-methylthiophene-2-carboxylate
CID 167810499
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586254
N-[4-[2-(1H-benzimidazol-2-yl)phenoxy]phenyl]acetamide
CID 168555488
5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984917
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110860042

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 163360725) is 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide is COc1ccc(NC(=O)c2c(C)[nH]c(-c3nc4ccccc4[nH]3)c2C)cc1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is NSUHMPOZOGGCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12-18(21(26)23-14-8-10-15(27-3)11-9-14)13(2)22-19(12)20-24-16-6-4-5-7-17(16)25-20/h4-11,22H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 163360725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).