N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide

C22H20FN5O2 — CID 134806361

IUPACN-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide
SMILESCOc1cc(F)ccc1-c1cc(C(=O)NCc2ccnc(N)c2)c2c(c1)ncn2C
InChIInChI=1S/C22H20FN5O2/c1-28-12-27-18-9-14(16-4-3-15(23)10-19(16)30-2)8-17(21(18)28)22(29)26-11-13-5-6-25-20(24)7-13/h3-10,12H,11H2,1-2H3,(H2,24,25)(H,26,29)
InChIKeyXSERICDXDDOQEO-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.30
Rot. Bonds5

About N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide

N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide (PubChem CID 134806361) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide
PubChem CID134806361
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide
SMILESCOc1cc(F)ccc1-c1cc(C(=O)NCc2ccnc(N)c2)c2c(c1)ncn2C
InChIInChI=1S/C22H20FN5O2/c1-28-12-27-18-9-14(16-4-3-15(23)10-19(16)30-2)8-17(21(18)28)22(29)26-11-13-5-6-25-20(24)7-13/h3-10,12H,11H2,1-2H3,(H2,24,25)(H,26,29)
InChIKeyXSERICDXDDOQEO-UHFFFAOYSA-N
XLogP3.30
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide?
The IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide (CID 134806361) is N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide?
The canonical SMILES for N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide is COc1cc(F)ccc1-c1cc(C(=O)NCc2ccnc(N)c2)c2c(c1)ncn2C.
What is the InChIKey of N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide?
The InChIKey is XSERICDXDDOQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-28-12-27-18-9-14(16-4-3-15(23)10-19(16)30-2)8-17(21(18)28)22(29)26-11-13-5-6-25-20(24)7-13/h3-10,12H,11H2,1-2H3,(H2,24,25)(H,26,29).
What are the key properties of N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide?
N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-pyridinyl)methyl]-6-(4-fluoro-2-methoxyphenyl)-3-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134806361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).