5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol

C20H19N5O2 — CID 174105858

IUPAC5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol
SMILESCOC[C@H](Nc1nc(O)c(C=c2ccc3c(c2)N=CN=3)[nH]1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c1-27-11-18(14-5-3-2-4-6-14)24-20-23-17(19(26)25-20)10-13-7-8-15-16(9-13)22-12-21-15/h2-10,12,18,26H,11H2,1H3,(H2,23,24,25)/t18-/m0/s1
InChIKeySTNFWBUCCTWLPF-SFHVURJKSA-N
MW361.41 g/mol
LogP2.04
Rot. Bonds6

About 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol

5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol (PubChem CID 174105858) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol
PubChem CID174105858
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol
SMILESCOC[C@H](Nc1nc(O)c(C=c2ccc3c(c2)N=CN=3)[nH]1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c1-27-11-18(14-5-3-2-4-6-14)24-20-23-17(19(26)25-20)10-13-7-8-15-16(9-13)22-12-21-15/h2-10,12,18,26H,11H2,1H3,(H2,23,24,25)/t18-/m0/s1
InChIKeySTNFWBUCCTWLPF-SFHVURJKSA-N
XLogP2.04
TPSA94.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol?
The IUPAC name of 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol (CID 174105858) is 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol.
What is the SMILES notation for 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol?
The canonical SMILES for 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol is COC[C@H](Nc1nc(O)c(C=c2ccc3c(c2)N=CN=3)[nH]1)c1ccccc1.
What is the InChIKey of 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol?
The InChIKey is STNFWBUCCTWLPF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-27-11-18(14-5-3-2-4-6-14)24-20-23-17(19(26)25-20)10-13-7-8-15-16(9-13)22-12-21-15/h2-10,12,18,26H,11H2,1H3,(H2,23,24,25)/t18-/m0/s1.
What are the key properties of 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol?
5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol has a molecular weight of 361.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol is sourced from PubChem (CID 174105858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).