2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole

C16H14N4 — CID 136671113

IUPAC2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole
SMILESc1c[nH]c(Cn2c(-c3ccc[nH]3)nc3ccccc32)c1
InChIInChI=1S/C16H14N4/c1-2-8-15-13(6-1)19-16(14-7-4-10-18-14)20(15)11-12-5-3-9-17-12/h1-10,17-18H,11H2
InChIKeyDJLVQFCBWQZHCB-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.41
Rot. Bonds3

About 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole

2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole (PubChem CID 136671113) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole
PubChem CID136671113
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole
SMILESc1c[nH]c(Cn2c(-c3ccc[nH]3)nc3ccccc32)c1
InChIInChI=1S/C16H14N4/c1-2-8-15-13(6-1)19-16(14-7-4-10-18-14)20(15)11-12-5-3-9-17-12/h1-10,17-18H,11H2
InChIKeyDJLVQFCBWQZHCB-UHFFFAOYSA-N
XLogP3.41
TPSA49.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
CID 174698685
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 1490189
1-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazol-2-amine
CID 115144186
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide
CID 175377923
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine
CID 158757236
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide
CID 110469019
CID 10763839
CID 10763839
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole?
The IUPAC name of 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole (CID 136671113) is 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole is c1c[nH]c(Cn2c(-c3ccc[nH]3)nc3ccccc32)c1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole?
The InChIKey is DJLVQFCBWQZHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-8-15-13(6-1)19-16(14-7-4-10-18-14)20(15)11-12-5-3-9-17-12/h1-10,17-18H,11H2.
What are the key properties of 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole?
2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole has a molecular weight of 262.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole is sourced from PubChem (CID 136671113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).