1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one

C19H21N5O — CID 75385583

IUPAC1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one
SMILESCn1c(CNc2cccc(N3CCCNC3=O)c2)nc2ccccc21
InChIInChI=1S/C19H21N5O/c1-23-17-9-3-2-8-16(17)22-18(23)13-21-14-6-4-7-15(12-14)24-11-5-10-20-19(24)25/h2-4,6-9,12,21H,5,10-11,13H2,1H3,(H,20,25)
InChIKeyQYWPPGFGYPTFHQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.11
Rot. Bonds4

About 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one

1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one (PubChem CID 75385583) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one
PubChem CID75385583
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one
SMILESCn1c(CNc2cccc(N3CCCNC3=O)c2)nc2ccccc21
InChIInChI=1S/C19H21N5O/c1-23-17-9-3-2-8-16(17)22-18(23)13-21-14-6-4-7-15(12-14)24-11-5-10-20-19(24)25/h2-4,6-9,12,21H,5,10-11,13H2,1H3,(H,20,25)
InChIKeyQYWPPGFGYPTFHQ-UHFFFAOYSA-N
XLogP3.11
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 7309525
methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate
CID 75518351
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one
CID 62761809
1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 43696383
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 75423273
2-chloro-5-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756584
(2R)-2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 124607892
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one (CID 75385583) is 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one is Cn1c(CNc2cccc(N3CCCNC3=O)c2)nc2ccccc21.
What is the InChIKey of 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one?
The InChIKey is QYWPPGFGYPTFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-17-9-3-2-8-16(17)22-18(23)13-21-14-6-4-7-15(12-14)24-11-5-10-20-19(24)25/h2-4,6-9,12,21H,5,10-11,13H2,1H3,(H,20,25).
What are the key properties of 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one?
1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 75385583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).