[2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine

C27H37N5 — CID 142736592

IUPAC[2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine
SMILESCC(C)CCn1c(CN2CN(C3CCCC3)Cc3ccccc32)nc2cc(CN)ccc21
InChIInChI=1S/C27H37N5/c1-20(2)13-14-32-26-12-11-21(16-28)15-24(26)29-27(32)18-31-19-30(23-8-4-5-9-23)17-22-7-3-6-10-25(22)31/h3,6-7,10-12,15,20,23H,4-5,8-9,13-14,16-19,28H2,1-2H3
InChIKeyHGRAQXNEJUXCFM-UHFFFAOYSA-N
MW431.63 g/mol
LogP5.26
Rot. Bonds7

About [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine

[2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine (PubChem CID 142736592) has the molecular formula C27H37N5 and a molecular weight of 431.63 g/mol. Its IUPAC name is [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine
PubChem CID142736592
Molecular FormulaC27H37N5
Molecular Weight431.63 g/mol
Exact Mass431.30
IUPAC Name[2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine
SMILESCC(C)CCn1c(CN2CN(C3CCCC3)Cc3ccccc32)nc2cc(CN)ccc21
InChIInChI=1S/C27H37N5/c1-20(2)13-14-32-26-12-11-21(16-28)15-24(26)29-27(32)18-31-19-30(23-8-4-5-9-23)17-22-7-3-6-10-25(22)31/h3,6-7,10-12,15,20,23H,4-5,8-9,13-14,16-19,28H2,1-2H3
InChIKeyHGRAQXNEJUXCFM-UHFFFAOYSA-N
XLogP5.26
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.63
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[[5-(aminomethyl)-1-butylbenzimidazol-2-yl]methyl]-3-propyl-4H-quinazolin-2-one
CID 46909665
1-[[5-(aminomethyl)-6-methyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one
CID 46910080
2-cyclopropyl-4-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 20814097
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
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
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine
CID 82332532
[2-(2-cyclopentylethyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 65038299
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine
CID 65037851
N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine
CID 82333660

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine (CID 142736592) is [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine is CC(C)CCn1c(CN2CN(C3CCCC3)Cc3ccccc32)nc2cc(CN)ccc21.
What is the InChIKey of [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine?
The InChIKey is HGRAQXNEJUXCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5/c1-20(2)13-14-32-26-12-11-21(16-28)15-24(26)29-27(32)18-31-19-30(23-8-4-5-9-23)17-22-7-3-6-10-25(22)31/h3,6-7,10-12,15,20,23H,4-5,8-9,13-14,16-19,28H2,1-2H3.
What are the key properties of [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine?
[2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine has a molecular weight of 431.63 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 142736592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).