[6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol

C21H23N5O — CID 138806845

IUPAC[6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
SMILESCC(c1ccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cc1)N(C)C
InChIInChI=1S/C21H23N5O/c1-14(25(2)3)15-4-6-16(7-5-15)21-22-10-11-26(21)17-8-9-18-19(12-17)24-20(13-27)23-18/h4-12,14,27H,13H2,1-3H3,(H,23,24)
InChIKeyUYAUCYYFHFDMFQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.53
Rot. Bonds5

About [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol

[6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol (PubChem CID 138806845) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
PubChem CID138806845
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
SMILESCC(c1ccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cc1)N(C)C
InChIInChI=1S/C21H23N5O/c1-14(25(2)3)15-4-6-16(7-5-15)21-22-10-11-26(21)17-8-9-18-19(12-17)24-20(13-27)23-18/h4-12,14,27H,13H2,1-3H3,(H,23,24)
InChIKeyUYAUCYYFHFDMFQ-UHFFFAOYSA-N
XLogP3.53
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol (CID 138806845) is [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol is CC(c1ccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cc1)N(C)C.
What is the InChIKey of [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The InChIKey is UYAUCYYFHFDMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14(25(2)3)15-4-6-16(7-5-15)21-22-10-11-26(21)17-8-9-18-19(12-17)24-20(13-27)23-18/h4-12,14,27H,13H2,1-3H3,(H,23,24).
What are the key properties of [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
[6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol has a molecular weight of 361.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 138806845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).