1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one

C26H33N5O — CID 46910080

IUPAC1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one
SMILESCc1cc2c(cc1CN)nc(CN1C(=O)N(C3CC3)Cc3ccccc31)n2CCC(C)C
InChIInChI=1S/C26H33N5O/c1-17(2)10-11-29-24-12-18(3)20(14-27)13-22(24)28-25(29)16-31-23-7-5-4-6-19(23)15-30(26(31)32)21-8-9-21/h4-7,12-13,17,21H,8-11,14-16,27H2,1-3H3
InChIKeyWCPZFWIUIZIHMX-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.95
Rot. Bonds7

About 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one

1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one (PubChem CID 46910080) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one
PubChem CID46910080
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one
SMILESCc1cc2c(cc1CN)nc(CN1C(=O)N(C3CC3)Cc3ccccc31)n2CCC(C)C
InChIInChI=1S/C26H33N5O/c1-17(2)10-11-29-24-12-18(3)20(14-27)13-22(24)28-25(29)16-31-23-7-5-4-6-19(23)15-30(26(31)32)21-8-9-21/h4-7,12-13,17,21H,8-11,14-16,27H2,1-3H3
InChIKeyWCPZFWIUIZIHMX-UHFFFAOYSA-N
XLogP4.95
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one with MolForge

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Related Compounds

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
[2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine
CID 142736592
1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one
CID 46909665
3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
CID 20814053
3-cyclopropyl-1-[[5-(hydroxymethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
CID 20814055
N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 23517197
[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine
CID 82332532
(3aS,6aS)-5-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146043766
2-[(3-cyclopropyl-4,4-dimethyl-2-oxoquinazolin-1-yl)methyl]-1-(4,4,4-trifluorobutyl)benzimidazole-5-carboximidamide
CID 46909670
1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide
CID 20814021
1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 57378650

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one?
The IUPAC name of 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one (CID 46910080) is 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one?
The canonical SMILES for 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one is Cc1cc2c(cc1CN)nc(CN1C(=O)N(C3CC3)Cc3ccccc31)n2CCC(C)C.
What is the InChIKey of 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one?
The InChIKey is WCPZFWIUIZIHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-17(2)10-11-29-24-12-18(3)20(14-27)13-22(24)28-25(29)16-31-23-7-5-4-6-19(23)15-30(26(31)32)21-8-9-21/h4-7,12-13,17,21H,8-11,14-16,27H2,1-3H3.
What are the key properties of 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one?
1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one has a molecular weight of 431.58 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one is sourced from PubChem (CID 46910080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).