1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole

C18H15N3 — CID 141305843

IUPAC1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole
SMILESCn1c(-c2cccc(-n3cccc3)c2)nc2ccccc21
InChIInChI=1S/C18H15N3/c1-20-17-10-3-2-9-16(17)19-18(20)14-7-6-8-15(13-14)21-11-4-5-12-21/h2-13H,1H3
InChIKeyMUSRSRQDOMNCRD-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.03
Rot. Bonds2

About 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole

1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole (PubChem CID 141305843) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole
PubChem CID141305843
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole
SMILESCn1c(-c2cccc(-n3cccc3)c2)nc2ccccc21
InChIInChI=1S/C18H15N3/c1-20-17-10-3-2-9-16(17)19-18(20)14-7-6-8-15(13-14)21-11-4-5-12-21/h2-13H,1H3
InChIKeyMUSRSRQDOMNCRD-UHFFFAOYSA-N
XLogP4.03
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-7-pyrrol-1-ylcarbazole
CID 142329038
1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
CID 59568337
N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
CID 59568340
1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
CID 59568251
2-[3-[4-[(3R)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]phenyl]-1-methylbenzimidazole
CID 59568380
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline
CID 58704225
2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
CID 59568379
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole
CID 175716634
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59568242
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole?
The IUPAC name of 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole (CID 141305843) is 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole is Cn1c(-c2cccc(-n3cccc3)c2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole?
The InChIKey is MUSRSRQDOMNCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-20-17-10-3-2-9-16(17)19-18(20)14-7-6-8-15(13-14)21-11-4-5-12-21/h2-13H,1H3.
What are the key properties of 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole?
1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole has a molecular weight of 273.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole is sourced from PubChem (CID 141305843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).