5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

C17H15N5O — CID 166209245

IUPAC5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc2ncnc(NCc3ccc4[nH]c(=O)[nH]c4c3)c2c1
InChIInChI=1S/C17H15N5O/c1-10-2-4-13-12(6-10)16(20-9-19-13)18-8-11-3-5-14-15(7-11)22-17(23)21-14/h2-7,9H,8H2,1H3,(H,18,19,20)(H2,21,22,23)
InChIKeyNBFWNWBDAVZSTB-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.72
Rot. Bonds3

About 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 166209245) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID166209245
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc2ncnc(NCc3ccc4[nH]c(=O)[nH]c4c3)c2c1
InChIInChI=1S/C17H15N5O/c1-10-2-4-13-12(6-10)16(20-9-19-13)18-8-11-3-5-14-15(7-11)22-17(23)21-14/h2-7,9H,8H2,1H3,(H,18,19,20)(H2,21,22,23)
InChIKeyNBFWNWBDAVZSTB-UHFFFAOYSA-N
XLogP2.72
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 166209245) is 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is Cc1ccc2ncnc(NCc3ccc4[nH]c(=O)[nH]c4c3)c2c1.
What is the InChIKey of 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NBFWNWBDAVZSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10-2-4-13-12(6-10)16(20-9-19-13)18-8-11-3-5-14-15(7-11)22-17(23)21-14/h2-7,9H,8H2,1H3,(H,18,19,20)(H2,21,22,23).
What are the key properties of 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 305.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 166209245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).