[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate

C19H17N5O3 — CID 69342788

IUPAC[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCn1ccnc1C(O)c1ccc(-c2nc3ccc(OC(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C19H17N5O3/c1-24-9-8-21-18(24)16(25)11-2-4-12(5-3-11)17-22-14-7-6-13(27-19(20)26)10-15(14)23-17/h2-10,16,25H,1H3,(H2,20,26)(H,22,23)
InChIKeyWIIDRYNPWQBAPY-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.50
Rot. Bonds4

About [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate

[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 69342788) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
PubChem CID69342788
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCn1ccnc1C(O)c1ccc(-c2nc3ccc(OC(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C19H17N5O3/c1-24-9-8-21-18(24)16(25)11-2-4-12(5-3-11)17-22-14-7-6-13(27-19(20)26)10-15(14)23-17/h2-10,16,25H,1H3,(H2,20,26)(H,22,23)
InChIKeyWIIDRYNPWQBAPY-UHFFFAOYSA-N
XLogP2.50
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343119
[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343445
[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
CID 69373002
[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371809
[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371891
[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69372375
[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371270
(1-methylimidazol-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63974299
[2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 67073190
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11394800
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236

Frequently Asked Questions

What is the IUPAC name of [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate (CID 69342788) is [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate is Cn1ccnc1C(O)c1ccc(-c2nc3ccc(OC(N)=O)cc3[nH]2)cc1.
What is the InChIKey of [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is WIIDRYNPWQBAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-24-9-8-21-18(24)16(25)11-2-4-12(5-3-11)17-22-14-7-6-13(27-19(20)26)10-15(14)23-17/h2-10,16,25H,1H3,(H2,20,26)(H,22,23).
What are the key properties of [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate?
[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 363.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69342788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).