1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one

C24H31N5O — CID 46909665

IUPAC1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one
SMILESCCCCn1c(CN2C(=O)N(CCC)Cc3ccccc32)nc2cc(CN)ccc21
InChIInChI=1S/C24H31N5O/c1-3-5-13-28-22-11-10-18(15-25)14-20(22)26-23(28)17-29-21-9-7-6-8-19(21)16-27(12-4-2)24(29)30/h6-11,14H,3-5,12-13,15-17,25H2,1-2H3
InChIKeyFGQRFARMJWUDNG-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.65
Rot. Bonds8

About 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one

1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one (PubChem CID 46909665) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one
PubChem CID46909665
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one
SMILESCCCCn1c(CN2C(=O)N(CCC)Cc3ccccc32)nc2cc(CN)ccc21
InChIInChI=1S/C24H31N5O/c1-3-5-13-28-22-11-10-18(15-25)14-20(22)26-23(28)17-29-21-9-7-6-8-19(21)16-27(12-4-2)24(29)30/h6-11,14H,3-5,12-13,15-17,25H2,1-2H3
InChIKeyFGQRFARMJWUDNG-UHFFFAOYSA-N
XLogP4.65
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine
CID 142736592
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
CID 79199391
1-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one;tert-butyl N-[[2-(chloromethyl)-1-(3-methylbutyl)benzimidazol-5-yl]methyl]carbamate;tert-butyl N-[[2-[(3-cyclopropyl-2-oxo-4H-quinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methyl]carbamate;tert-butyl N-[[2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazol-5-yl]methyl]carbamate;3-cyclopropyl-1,4-dihydroquinazolin-2-one
CID 157435464
2-cyclopropyl-4-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 20814097
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole
CID 134084220
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
CID 65037611
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one?
The IUPAC name of 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one (CID 46909665) is 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one?
The canonical SMILES for 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one is CCCCn1c(CN2C(=O)N(CCC)Cc3ccccc32)nc2cc(CN)ccc21.
What is the InChIKey of 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one?
The InChIKey is FGQRFARMJWUDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-3-5-13-28-22-11-10-18(15-25)14-20(22)26-23(28)17-29-21-9-7-6-8-19(21)16-27(12-4-2)24(29)30/h6-11,14H,3-5,12-13,15-17,25H2,1-2H3.
What are the key properties of 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one?
1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one has a molecular weight of 405.55 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one is sourced from PubChem (CID 46909665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).