[5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol

C19H21N5O2 — CID 70734119

IUPAC[5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol
SMILESCc1ccc2nc(C(C(C)C)n3cc(-c4ccc(CO)o4)nn3)[nH]c2c1
InChIInChI=1S/C19H21N5O2/c1-11(2)18(19-20-14-6-4-12(3)8-15(14)21-19)24-9-16(22-23-24)17-7-5-13(10-25)26-17/h4-9,11,18,25H,10H2,1-3H3,(H,20,21)
InChIKeyCVRRGZRZXQDGST-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.46
Rot. Bonds5

About [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol

[5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol (PubChem CID 70734119) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol
PubChem CID70734119
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol
SMILESCc1ccc2nc(C(C(C)C)n3cc(-c4ccc(CO)o4)nn3)[nH]c2c1
InChIInChI=1S/C19H21N5O2/c1-11(2)18(19-20-14-6-4-12(3)8-15(14)21-19)24-9-16(22-23-24)17-7-5-13(10-25)26-17/h4-9,11,18,25H,10H2,1-3H3,(H,20,21)
InChIKeyCVRRGZRZXQDGST-UHFFFAOYSA-N
XLogP3.46
TPSA92.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol with MolForge

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Related Compounds

(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
2-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70754607
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
[5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol
CID 72917445
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide
CID 131889490
2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336531

Frequently Asked Questions

What is the IUPAC name of [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol (CID 70734119) is [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol is Cc1ccc2nc(C(C(C)C)n3cc(-c4ccc(CO)o4)nn3)[nH]c2c1.
What is the InChIKey of [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol?
The InChIKey is CVRRGZRZXQDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11(2)18(19-20-14-6-4-12(3)8-15(14)21-19)24-9-16(22-23-24)17-7-5-13(10-25)26-17/h4-9,11,18,25H,10H2,1-3H3,(H,20,21).
What are the key properties of [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol?
[5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol has a molecular weight of 351.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazol-4-yl]furan-2-yl]methanol is sourced from PubChem (CID 70734119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).