(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid

C10H10N4O2 — CID 143516631

IUPAC(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1ncc(-c2cccnc2)[nH]1
InChIInChI=1S/C10H10N4O2/c15-10(16)13-6-9-12-5-8(14-9)7-2-1-3-11-4-7/h1-5,13H,6H2,(H,12,14)(H,15,16)
InChIKeyMUWLFKDXKWQCTD-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.24
Rot. Bonds3

About (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid

(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid (PubChem CID 143516631) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid
PubChem CID143516631
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1ncc(-c2cccnc2)[nH]1
InChIInChI=1S/C10H10N4O2/c15-10(16)13-6-9-12-5-8(14-9)7-2-1-3-11-4-7/h1-5,13H,6H2,(H,12,14)(H,15,16)
InChIKeyMUWLFKDXKWQCTD-UHFFFAOYSA-N
XLogP1.24
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
CID 143516405
(5-pyridin-3-yl-1H-imidazol-2-yl)methanamine
CID 43649236
3-(5-pyridin-3-yl-1H-imidazol-2-yl)butanoic acid
CID 116878820
N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 71801268
N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide
CID 51100573
3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine
CID 99963203
2-(2-oxo-1-pyridinyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide
CID 86865141
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
2-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 126817370
2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide
CID 51098429
(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
CID 94391575
N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49494521

Frequently Asked Questions

What is the IUPAC name of (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid?
The IUPAC name of (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid (CID 143516631) is (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid.
What is the SMILES notation for (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid?
The canonical SMILES for (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid is O=C(O)NCc1ncc(-c2cccnc2)[nH]1.
What is the InChIKey of (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid?
The InChIKey is MUWLFKDXKWQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(16)13-6-9-12-5-8(14-9)7-2-1-3-11-4-7/h1-5,13H,6H2,(H,12,14)(H,15,16).
What are the key properties of (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid?
(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid has a molecular weight of 218.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid is sourced from PubChem (CID 143516631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).