N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide

C20H18N4O — CID 57198710

IUPACN-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide
SMILESCc1cccc(C)c1-n1ccc(-c2nc3c(NC=O)cccc3[nH]2)c1
InChIInChI=1S/C20H18N4O/c1-13-5-3-6-14(2)19(13)24-10-9-15(11-24)20-22-17-8-4-7-16(21-12-25)18(17)23-20/h3-12H,1-2H3,(H,21,25)(H,22,23)
InChIKeyHYFFJXZOQMMJEX-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.21
Rot. Bonds4

About N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide

N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide (PubChem CID 57198710) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide
PubChem CID57198710
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide
SMILESCc1cccc(C)c1-n1ccc(-c2nc3c(NC=O)cccc3[nH]2)c1
InChIInChI=1S/C20H18N4O/c1-13-5-3-6-14(2)19(13)24-10-9-15(11-24)20-22-17-8-4-7-16(21-12-25)18(17)23-20/h3-12H,1-2H3,(H,21,25)(H,22,23)
InChIKeyHYFFJXZOQMMJEX-UHFFFAOYSA-N
XLogP4.21
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide
CID 56980971
N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide
CID 57064361
N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide
CID 57172673
N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide
CID 57177667
N-(1H-benzimidazol-4-yl)formamide
CID 15710577
N-(2,3-dimethylphenyl)formamide;methane
CID 143644303
4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole
CID 59784918
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide
CID 54133294
4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 103597254
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide?
The IUPAC name of N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide (CID 57198710) is N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide.
What is the SMILES notation for N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide?
The canonical SMILES for N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide is Cc1cccc(C)c1-n1ccc(-c2nc3c(NC=O)cccc3[nH]2)c1.
What is the InChIKey of N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide?
The InChIKey is HYFFJXZOQMMJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-5-3-6-14(2)19(13)24-10-9-15(11-24)20-22-17-8-4-7-16(21-12-25)18(17)23-20/h3-12H,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide?
N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide has a molecular weight of 330.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide is sourced from PubChem (CID 57198710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).