2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol

C21H22N4O — CID 160677440

IUPAC2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol
SMILESCc1[nH]c(-c2ccccc2)nc1CO.c1ccc2c(c1)nc1n2CCC1
InChIInChI=1S/C11H12N2O.C10H10N2/c1-8-10(7-14)13-11(12-8)9-5-3-2-4-6-9;1-2-5-9-8(4-1)11-10-6-3-7-12(9)10/h2-6,14H,7H2,1H3,(H,12,13);1-2,4-5H,3,6-7H2
InChIKeyRNRZYVTTXFHQEG-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.86
Rot. Bonds2

About 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol

2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol (PubChem CID 160677440) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol
PubChem CID160677440
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol
SMILESCc1[nH]c(-c2ccccc2)nc1CO.c1ccc2c(c1)nc1n2CCC1
InChIInChI=1S/C11H12N2O.C10H10N2/c1-8-10(7-14)13-11(12-8)9-5-3-2-4-6-9;1-2-5-9-8(4-1)11-10-6-3-7-12(9)10/h2-6,14H,7H2,1H3,(H,12,13);1-2,4-5H,3,6-7H2
InChIKeyRNRZYVTTXFHQEG-UHFFFAOYSA-N
XLogP3.86
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol (CID 160677440) is 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol is Cc1[nH]c(-c2ccccc2)nc1CO.c1ccc2c(c1)nc1n2CCC1.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol?
The InChIKey is RNRZYVTTXFHQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C10H10N2/c1-8-10(7-14)13-11(12-8)9-5-3-2-4-6-9;1-2-5-9-8(4-1)11-10-6-3-7-12(9)10/h2-6,14H,7H2,1H3,(H,12,13);1-2,4-5H,3,6-7H2.
What are the key properties of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol?
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol has a molecular weight of 346.43 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol is sourced from PubChem (CID 160677440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).