2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one

C20H21N5O2 — CID 135875154

IUPAC2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(CCCn1c(=O)[nH]c2ccccc21)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H21N5O2/c1-24(13-18-21-15-8-3-2-7-14(15)19(26)23-18)11-6-12-25-17-10-5-4-9-16(17)22-20(25)27/h2-5,7-10H,6,11-13H2,1H3,(H,22,27)(H,21,23,26)
InChIKeyZWWOXRDNWXDHQJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.09
Rot. Bonds6

About 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one

2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135875154) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135875154
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(CCCn1c(=O)[nH]c2ccccc21)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H21N5O2/c1-24(13-18-21-15-8-3-2-7-14(15)19(26)23-18)11-6-12-25-17-10-5-4-9-16(17)22-20(25)27/h2-5,7-10H,6,11-13H2,1H3,(H,22,27)(H,21,23,26)
InChIKeyZWWOXRDNWXDHQJ-UHFFFAOYSA-N
XLogP2.09
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one
CID 115666909
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
3-[3-(4-methylquinolin-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one
CID 16541537
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one
CID 135542792
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[1-adamantylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135799564
2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135687482
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one (CID 135875154) is 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one is CN(CCCn1c(=O)[nH]c2ccccc21)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is ZWWOXRDNWXDHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24(13-18-21-15-8-3-2-7-14(15)19(26)23-18)11-6-12-25-17-10-5-4-9-16(17)22-20(25)27/h2-5,7-10H,6,11-13H2,1H3,(H,22,27)(H,21,23,26).
What are the key properties of 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one?
2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135875154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).